sales@ambeed.com

Structure Search

List Search MOL Search Structure Search

Hello, Sign in

Home Cart 0 Sign in

[ CAS No. 501435-91-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

2D 3D

Chemical Structure| 501435-91-2

Chemical Structure| 501435-91-2

Structure of 501435-91-2 * Storage: {[proInfo.prStorage]}

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 501435-91-2 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 501435-91-2 ]

SDS Specification

Alternatived Products of [ 501435-91-2 ]

Product Details of [ 501435-91-2 ]

CAS No. :	501435-91-2	MDL No. :	MFCD04039317
Formula :	C₅H₄BBrFNO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YAXKWQSQZIVTFC-UHFFFAOYSA-N
M.W :	219.80	Pubchem ID :	2783242
Synonyms :

Calculated chemistry of [ 501435-91-2 ]

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	41.72
TPSA :	53.35 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.02 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	0.88
Log Po/w (WLOGP) :	0.08
Log Po/w (MLOGP) :	-0.13
Log Po/w (SILICOS-IT) :	-0.01
Consensus Log Po/w :	0.16

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.09
Solubility :	1.77 mg/ml ; 0.00804 mol/l
Class :	Soluble
Log S (Ali) :	-1.58
Solubility :	5.72 mg/ml ; 0.026 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.06
Solubility :	1.94 mg/ml ; 0.00881 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.33

Safety of [ 501435-91-2 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 501435-91-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 501435-91-2 ]

[ 501435-91-2 ] Synthesis Path-Downstream 1~59

1
[ 1120-90-7 ]
[ 501435-91-2 ]
5-bromo-2-fluoro-[3,3']bipyridyl [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 3352 - 3355

2
[ 636-98-6 ]
[ 501435-91-2 ]
[ 501436-01-7 ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 3352 - 3355

3
[ 108-86-1 ]
[ 501435-91-2 ]
[ 361147-22-0 ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 3352 - 3355

4
[ 766-11-0 ]
[ 501435-91-2 ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 3352 - 3355

5
[ 591-50-4 ]
[ 501435-91-2 ]
[ 361147-22-0 ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 3352 - 3355

6
[ 591-50-4 ]
[ 501435-91-2 ]
5-bromo-2-fluoro-3-phenylpyridine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
49.8%	With sodium carbonate;tetrakis(triphenylphosphine) palladium(0); In 1,4-dioxane; water; at 90℃;Inert atmosphere;	[00131] A solution of S-bromo-l-fluoropyridin-S-ylboronic acid (620 mg, 2.82 mmol) and 1-iodobenzene (292 muL, 2.6 mmol) in 1,4-dioxane (50 muL) was degassed via nitrogen bubble for 15 mins. Then the mixture was added Pd(PPtLs)4 (150 mg, 0.13 mmol) and aqueous Na2CO3 (24 muL, 5.7 mmol) and heated to 90 0C for 30 mins. The reaction was cooled to room temperature and poured into ethyl acetate (50 mL). The mixture was extracted with ethyl acetate, dried over Na2SO4, filtered and concentrated. The residue was purified via a flash column using 10% ethyl acetate in hexanes as an eluent. The product containing fractions were concentrated to give 5- bromo-2-fiuoro-3-phenylpyridine (2.2) (326 mg, 49.8% yield).
49.8%	With sodium carbonate;tetrakis(triphenylphosphine) palladium(0); In 1,4-dioxane; water; at 90℃; for 0.5h;Inert atmosphere;	A solution of S-bromo-l-fluoropyridin-S-ylboronic acid (620 mg, 2.82 mmol) and 1-iodobenzene (292 muL, 2.6 mmol) in 1,4-dioxane (50 muL) was degassed via nitrogen bubble for 15 mins. Then the mixture was added Pd(PPtLs)4 (150 mg, 0.13 mmol) and aqueous Na2CO3 (24 muL, 5.7 mmol) and heated to 90 0C for 30 mins. The reaction was cooled to room temperature and poured into ethyl acetate (50 niL). The mixture was extracted with ethyl acetate, dried over Na2SO4, filtered and concentrated. The residue was purified via a flash column using 10% ethyl acetate in hexanes as an eluent. The product containing fractions were concentrated to give 5- bromo-2-fiuoro-3-phenylpyridine (2.2) (326 mg, 49.8% yield)
37%	With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In 1,4-dioxane; water; at 90℃; for 0.833333h;Inert atmosphere;	This compound was made by amodification of the literature procedure. A mixture of commercially available <strong>[501435-91-2]5-bromo-2-fluoropyridine-3-boronic acid</strong> (4; 1.24 g, 5.63 mmol) in p-dioxane (15 mL)was degassed via nitrogen bubbling for 15 min. To the mixture was added1-iodobenzene (546 muL, 4.9 mmol) and Pd(PPh3)4 (283 mg, 0.25 mmol), followed byan additional minute of degassing, and then a solution of Na2CO3 (1.43 g, 13.48mmol) in 10 mL of water, which had been previously degassed for 5 min. Themixture was heated under nitrogen at 90 C for 50 min becoming a clear solution. Thecooled mixture was diluted with water and extracted with ethyl acetate (3x). Thecombined extracts were washed with brine, dried, and concentrated to leave a brownoil that was purified via silica gel flash chromatography (dry packing) using gradientelution with 0 - 2 % ethyl acetate in hexanes. Product fractions were combined andconcentrated to leave 5a (457 mg, 37 %) as a clear oil.

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 3352 - 3355
[2]Patent: WO2009/155389,2009,A1 .Location in patent: Page/Page column 37
[3]Patent: WO2009/155388,2009,A1 .Location in patent: Page/Page column 47
[4]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 4350 - 4353

7
[ 615-37-2 ]
[ 501435-91-2 ]
5-bromo-2-fluoro-3-(2'-methylphenyl)pyridine [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 3352 - 3355

8
[ 696-62-8 ]
[ 501435-91-2 ]
[ 501436-05-1 ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 3352 - 3355

9
[ 501435-91-2 ]
2-fluoro-3-(4'-methoxyphenyl)pyridine [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 3352 - 3355

10
[ 501435-91-2 ]
[ 501436-09-5 ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 3352 - 3355

11
[ 501435-91-2 ]
3-(4'-methoxyphenyl)-5-phenyl-2-pyridone [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 3352 - 3355

12
[ 501435-91-2 ]
5-(4''-methylphenyl)-3-(4'-nitrophenyl)-2-pyridone [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 3352 - 3355

13
[ 501435-91-2 ]
[ 501435-94-5 ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 3352 - 3355

14
[ 501435-91-2 ]
2-fluoro-3-(4'-methoxyphenyl)-5-(N-tert-butoxycarbonyl-pyrrol-2''-yl)pyridine [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 3352 - 3355

15
[ 501435-91-2 ]
2-fluoro-3-(4'-methoxyphenyl)-5-(4''-trifluoromethylphenyl)pyridine [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 3352 - 3355

16
[ 501435-91-2 ]
2-fluoro-5-(naphthalen-2''-yl)-3-(4'-nitrophenyl)pyridine [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 3352 - 3355

17
[ 501435-91-2 ]
2-fluoro-5-(N-tert-butoxycarbonyl-indol-2''-yl)-3-(4'-nitrophenyl)pyridine [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 3352 - 3355

18
[ 928777-09-7 ]
[ 501435-91-2 ]
[ 928777-10-0 ]

Yield	Reaction Conditions	Operation in experiment
25%	With sodium carbonate;tetrakis(triphenylphosphine) palladium(0); In ethanol; water; toluene; for 0.25h;Heating / reflux;	To a solution of 1- (4- ( (E) -2- iodovinyl) phenyl)piperidine (687 mg, 2.19 mmol) and 5-bromo- 2-methoxypyridin-3-yl-3-boronic acid (578 mg, 2.63 mmol) in EtOH (8 mL) and toluene (36 mL) was added sodium carbonate (627 mg, 5.92 mmol) in water (18 mL) . Nitrogen was bubbled through the reaction mixture for 40 rain and then tetrakis (triphenylphosphine) palladium (127 mg, 0.11 mmol) was added and the mixture refluxed for 15 min. EtOAc (50 mL) and water (20 mL) were added and after extraction, the organic layer was dried (MgStheta4) , filtered and concentrated. Purification by column chromatography (5% EtOAc in PE) gave the title compound (198 mg, 25%) as a yellow solid. 1H NMR (CDCl3) 1.62 (2H, m) , 1.70 (4H, m) , 3.28 (4H, m) , 6.87 (IH, d) , 6.91 (2H, d) , 71.5 (IH, d) , 7.43 (2H, d) , 8.08 (2H, d) .

Reference： [1]Patent: WO2007/27528,2007,A2 .Location in patent: Page/Page column 45

19
[ 501435-91-2 ]
[ 1012084-53-5 ]

Yield	Reaction Conditions	Operation in experiment
62%	With dihydrogen peroxide; acetic acid; In ethanol; water; ethyl acetate; at 35℃; for 3h;	Preparation 20 5-bromo-2-fluoro-3-pyridinol A solution of 1.36 g (6.18 mM) of <strong>[501435-91-2]5-bromo-2-fluoro-3-pyridineboronic acid</strong> in a mixture of 9.5 ml of ethanol, 2.3 ml of acetic acid and 1.3 ml of ethyl acetate is prepared. 2.2 ml of 30% hydrogen peroxide are added to the solution. The reaction mixture is stirred at a temperature of 35 C. for 3 hours and then cooled and extracted with ethyl ether. The organic phases are washed with a solution of ferrous ammonium sulfate, dried over magnesium sulfate, filtered and concentrated under reduced pressure. The solid residue is purified by chromatography on silica gel using a toluene/ethyl acetate mixture (9/1; v/v) as the eluent to give the desired product in the form of a white solid with a yield of 62%. M.p.=146 C.

Reference： [1]Patent: US2008/293768,2008,A1 .Location in patent: Page/Page column 7

20
[ 351227-42-4 ]
[ 501435-91-2 ]
[ 1200130-88-6 ]

Yield	Reaction Conditions	Operation in experiment
26%	With potassium fluoride;(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In water; acetonitrile; at 80℃; for 3h;Inert atmosphere;	A mixture of 6-chloro-4-iodo-pyridin-3-ylamine (2.37 g, 9.31 mmol), 2-fluoro-5- bromopyridine-3-boronic acid (2.64 g, 12.0 mmol) and 1,1 '-[6w(diphenylphosphino)ferrocene]dichloropalladium(II) (0.76 g, 0.93 mmol) in acetonitrile (35 mL) and IN aqueous potassium fluoride solution (35 mL) was degassed with nitrogen for 20 minutes. The reaction mixture was heated at 80 C for 3 h, allowed to cool to ambient temperature then partitioned between ethyl acetate (100 mL) and water (75 mL). The organic layer was separated, dried over anhydrous sodium sulfate, filtered and evaporated in vacuo. The resultant solid residue was triturated using 1: 1 DCM/methanol, collected by filtration, washed with diethyl ether and ethyl acetate to afford the title compound as a tan solid (1.37 g, 49%). The filtrate was concentrated under reduced pressure and the resiude was purified by flash chromatography (silica, 80 g column, ISCO, 0-40% ethyl acetate in pentane) to afford further title compound as a brown solid (0.73 g, 26%). 1H NMR (DMSO-D6, 300MHz): 8.46 (dd, J = 2.5, 1.3Hz, 1H), 8.24 (dd, J = 8.3, 2.5Hz, 1H), 7.88 (s, 1H), 7.19 (s, 1H), 5.57 (s, 2H). LCMS (Method B): RT = 3.21 min, M+H+ = 304.

Reference： [1]Patent: WO2009/151598,2009,A1 .Location in patent: Page/Page column 123

21
5-bromo-10-(n-butyl)-15-(4-methoxycarbonylphenyl)-20-(3-bromo-2,4,6-trimethoxyphenyl)porphyrin [ No CAS ]
[ 501435-91-2 ]
5-(n-butyl)-10-(4-methoxycarbonylphenyl)-15-(3-bromo-2,4,6-trimethoxyphenyl)-20-(5-bromo-2-fluoro-3-pyridinyl)porphyrin [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2010,p. 237 - 258

22
[ 21320-62-7 ]
[ 501435-91-2 ]
[ 1379860-70-4 ]

Reference： [1]Journal of Medicinal Chemistry,2012,vol. 55,p. 5188 - 5219

23
[ 1456506-78-7 ]
[ 1456506-77-6 ]
[ 501435-91-2 ]
[ 1456506-84-5 ]
[ 1456506-85-6 ]

Yield	Reaction Conditions	Operation in experiment
	With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In 1,4-dioxane; water; at 100℃; for 1h;Inert atmosphere; Sealed tube; Microwave irradiation;	A microwave vial was charged with a mixture of (R)-4-((S)-5,5- dimethyl-2-oxo-4-phenyloxazolidin-3-yl)cyclohex-l-en-l-yl trifluoromethanesulfonate and (S)-4-((S)-5,5-dimethyl-2-oxo-4-phenyloxazolidin-3-yl)cyclohex- 1 -en- 1 -yl trifluoromethanesulfonate (1.00 g, 2.384 mmol), <strong>[501435-91-2]5-bromo-2-fluoropyridine-3-boronic acid</strong> (0.786 g, 3.58 mmol) (commercially available from Alfa Aesar, Ward Hill, MA), sodium carbonate (0.758 g, 7.15 mmol), dioxane (10.0 mL) and water (2.000 mL). Tetrakis(triphenylphosphine)palladium(0) (0.276 g, 0.238 mmol) was added, the system was purged with argon, and the tube was sealed. The mixture was then stirred at 100C in the microwave for 1 hour. The reaction mixture was filtered through Celite brand filter aid and the filtrate was concentrated to afford a yellow oil. The residual yellow oil was purified by column chromatography on silica gel (RediSep 40 g column, gradient elution with 0 to 25 to 50% EtOAc-heptane) to afford a mixture of (S)-3-((R)- 4- (5-bromo-2-fluoropyridin-3-yl)cyclohex-3-en- l-yl)-5,5-dimethyl-4-phenyloxazolidin- 2-one and (S)-3-((S)-4-(5-bromo-2-fluoropyridin-3-yl)cyclohex-3-en-l-yl)-5,5- dimethyl-4-phenyloxazolidin-2-one (0.659 g, 1.480 mmol, 62.1 % yield) as a white solid. FontWeight="Bold" FontSize="10" H NMR (400 MHz, DMSO-i/6) delta ppm 0.82 (s, 3 H), 1.49 (s, 3 H), 1.50 - 1.58 (m, 1 H), 1.65 - 2.48 (m, 4 H), 2.61- 2.89 (m, 1 H), 3.51 - 3.82 (m, 1 H), 4.70 (d, J=l 1.64 Hz, 1 H), 5.83 - 6.14 (m, 1 H), 7.1 1 - 7.62 (m, 5 H), 8.05(ddd, J=8.78, 6.63, 2.49 Hz, 1 H), 8.17 - 8.32 (m, 1 H). m/z (ESI) 445, 447 (M+H)+.

Reference： [1]Patent: WO2013/134079,2013,A1 .Location in patent: Paragraph 0269-0270

24
[ 28593-24-0 ]
[ 501435-91-2 ]
[ 1456506-93-6 ]

Yield	Reaction Conditions	Operation in experiment
	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; In 1,4-dioxane; at 130℃; for 1h;Microwave irradiation;	6-Chloro-l,2,4-triazolo[4,3-b]pyridazine (141 mg, 0.910 mmol, commercially available from Synthonix, Wake Forest, NC), sodium carbonate (910 1.820 mmol), 5-bromo-2-fluoropyridine-3-boronic acid (200 mg, 0.910 mmol), and dichloro(l, l-bis(diphenylphosphino ferrocene) )palladium(II) (74.3 mg, 0.091 mmol, commercially available from Sigma-Aldrich, Milwaukee, WI) were combined in dioxane (3033 iL) and stirred at 130C in a microwave oven for 1 hour. LC-MS indicated good conversion to the desired product 6-(5-bromo-2-fluoropyridin-3-yl)- [l,2,4]triazolo[4,3-b]pyridazine.

Reference： [1]Patent: WO2013/134079,2013,A1 .Location in patent: Paragraph 0292-0293

25
[ 1456506-56-1 ]
[ 501435-91-2 ]
[ 1456506-83-4 ]

Yield	Reaction Conditions	Operation in experiment
46%	With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In 1,4-dioxane; water; at 100℃; for 1h;Inert atmosphere; Sealed tube; Microwave irradiation;	A microwave vial was charged with (S)-3-(4-iodophenyl)-5,5-dimethyl- 4-phenyloxazolidin-2-one (Intermediate C)(0.200 g, 0.509 mmol), 5-bromo-2- fluoropyridine-3-boronic acid (0.224 g, 1.017 mmol)(commercially available from Alfa Aesar, Ward Hill, MA), sodium carbonate (0.162 g, 1.526 mmol), dioxane (3.0 mL), and water (0.600 mL). Tetrakis(triphenylphosphine)palladium(0) (0.059 g, 0.051 mmol) was added, the system was purged with argon, and the tube was sealed. The mixture was then stirred at 100C in the microwave for 1 hour. The resulting reaction mixture was filtered through Celite brand filter aid and the filtrate was concentrated to afford a yellow oil. The residual oil was purified by column chromatography on silica gel (RediSep 40 g column, gradient elution with 0-25% EtOAc-hexane) to afford (S)-3- (4-(5-bromo-2-fluoropyridin-3-yl)phenyl)-5,5-dimethyl-4-phenyloxazolidin-2-one (0.104 g, 0.236 mmol, 46 % yield) as a pale tan solid. H NMR (400 MHz, DMSO-i/6) delta ppm 0.92 (s, 3 H), 1.64 (s, 3 H), 5.52 (s, 1 H), 7.07 - 7.47 (m, 5 H), 7.51 - 7.75 (m, 4 H), 8.15 - 8.44 (m, 2 H). m/z (ESI) 441, 443 (M+H)+.

Reference： [1]Patent: WO2013/134079,2013,A1 .Location in patent: Paragraph 0261-0262

26
[ 4595-60-2 ]
[ 501435-91-2 ]
[ 1456506-63-0 ]

Yield	Reaction Conditions	Operation in experiment
76%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; In 1,4-dioxane; at 100℃;	2-Bromopyrimidine (5.42 g, 34.1 mmol), sodium carbonate (22.75 mL, 45.5 mmol), <strong>[501435-91-2]5-bromo-2-fluoropyridine-3-boronic acid</strong> (5 g, 22.75 mmol, commercially available from Frontier Scientific, Inc., Logan UT), and dichloro(l,l- bis(diphenylphosphinoferrocene))palladium(II) (1.858 g, 2.275 mmol, commercially available from Sigma-Aldrich, Milwaukee, WI) were combined in dioxane (32.5 mL) and stirred at 100C overnight. LC-MS indicated good conversion to desired product. The material thus obtained was absorbed onto a plug of silica gel and purified by chromatography through a Redi-Sep pre-packed silica gel column (12 g), eluting with a - I l l - gradient of 0 % to 10% MeOH in DCM, to provide 2-(5-bromo-2-fluoropyridin-3- yl)pyrimidine (4.37 g, 17.20 mmol, 76 % yield) as yellow solid, m/z (ESI) 253.8.

Reference： [1]Patent: WO2013/134079,2013,A1 .Location in patent: Paragraph 0194-0195
[2]ACS Medicinal Chemistry Letters,2013,vol. 4,p. 1218 - 1223

27
[ 501435-91-2 ]
[ 1456506-92-5 ]

Reference： [1]Patent: WO2013/134079,2013,A1

28
[ 501435-91-2 ]
[ 1456504-86-1 ]

Reference： [1]Patent: WO2013/134079,2013,A1

29
[ 501435-91-2 ]
[ 1456507-41-7 ]

Reference： [1]Patent: WO2013/134079,2013,A1
[2]ACS Medicinal Chemistry Letters,2013,vol. 4,p. 1218 - 1223

30
[ 501435-91-2 ]
[ 1456505-27-3 ]

Reference： [1]Patent: WO2013/134079,2013,A1
[2]ACS Medicinal Chemistry Letters,2013,vol. 4,p. 1218 - 1223

31
[ 501435-91-2 ]
[ 1456506-62-9 ]

Reference： [1]Patent: WO2013/134079,2013,A1
[2]ACS Medicinal Chemistry Letters,2013,vol. 4,p. 1218 - 1223

32
[ 105752-11-2 ]
[ 501435-91-2 ]
5-bromo-2-fluoro-[3,4′-bipyridin]-3′-amine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2015,vol. 58,p. 5053 - 5074

33
[ 501435-91-2 ]
2-fluoro-6′-methoxy-5-(4-(piperidin-1-ylmethyl)phenyl)-[3,4′-bipyridin]-3′-amine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2015,vol. 58,p. 5053 - 5074

34
[ 501435-91-2 ]
[ 1200129-85-6 ]

Reference： [1]Journal of Medicinal Chemistry,2015,vol. 58,p. 5053 - 5074

35
[ 501435-91-2 ]
[ 1200130-06-8 ]

Reference： [1]Journal of Medicinal Chemistry,2015,vol. 58,p. 5053 - 5074

36
[ 501435-91-2 ]
3-(4-(piperidin-1-ylmethyl)phenyl)-7,9-dihydro-6H-pyrrolo[2,3-b:5,4-c′]dipyridin-6-one [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2015,vol. 58,p. 5053 - 5074

37
[ 501435-91-2 ]
2-fluoro-5-(4-(piperidin-1-ylmethyl)phenyl)-[3,4′-bipyridin]-3′-amine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2015,vol. 58,p. 5053 - 5074

38
[ 227180-21-4 ]
[ 501435-91-2 ]
5-bromo-2-fluoro-6′-methoxy-[3,4′-bipyridin]-3′-amine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2015,vol. 58,p. 5053 - 5074

39
[ 1068523-55-6 ]
[ 501435-91-2 ]
ethyl 4-(5-bromo-2-fluoropyridin-3-yl)-5,6-dihydro-2H-pyran-3-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
66%	With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In tetrahydrofuran; at 65℃; for 4h;Inert atmosphere;	A stirred solution of 4-(((trifluoromethyl)sulfonyl)oxy)-5,6-dihydro-2H-pyran-3 -carboxylate (1.0 equiv), 5 -bromo-2-fluoropyridine-3 -boronic acid (1.05 equiv), and K2C03 (2.5 equiv) in THF (0.2 M) was purged with N2 for 5 mi Pd(Ph3P)4 (0.05 equiv) was added, and the mixture was purged again for 5 mm and then heated at 65 C for 4h. The reaction was poured onto water and extracted twice with EtOAc The combined organics were washed with brine, dried over MgSO4, filtered, and concentrated. The residue was adsorbed on Celite and purified by flash column chromatography over silica gel (heptane with 0-30% ethyl acetate gradient) to give ethyl 4-(5-bromo-2-fluoropyridin-3-yl)-5,6- dihydro-2H-pyran-3-carboxylate as a colorless oil in 66% yield. LCMS (m/z) (M+H) = 330.0/332.0, Rt = 1.04 mm. ?H NIVIR (400 IVIHz, Chloroform-cl) oe 8.20 (dd, J 2.4, 1.4 Hz, 1H), 7.66 (dd, J= 8.2, 2.5 Hz, 1H), 4.47 (t, J= 2.8 Hz, 2H), 4.02 (q, J= 7.1 Hz, 2H), 3.90 (t, J = 5.5 Hz, 2H), 2.46 (if, J= 5.5, 2.8 Hz, 2H), 1.04 (t, J7.1 Hz, 3H).

Reference： [1]Patent: WO2017/103824,2017,A1 .Location in patent: Paragraph 00256

40
ethyl 5-(((trifluoromethyl)sulfonyl)oxy)-2,3,6,7-tetrahydrooxepine-4-carboxylate [ No CAS ]
[ 501435-91-2 ]
ethyl 5-(5-bromo-2-fluoropyridin-3-yl)-2,3 ,6,7-tetrahydrooxepine-4-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
74%		A stirred mixture of ethyl 5-(((trifluoromethyl)sulfonyl)oxy)-2,3,6,7- tetrahydrooxepine-4-carboxylate (1.0 equiv), 5 -bromo-2-fluoropyridine-3 -boronic acid (1.05equiv), and K2C03 (2.5 equiv) in THF (0.2 M) was purged with N2 for 5 mi Pd(Ph3P)4 (0.05 equiv) was added, and the mixture was purged again for 5 mm and then heated at 65 C for 2.5h. The reaction was poured onto water and extracted twice with EtOAc The combined organics were washed with brine, dried over MgSO4, filtered, and concentrated. The residue was purified by flash column chromatography over silica gel (heptane with 0-30% ethyl acetate gradient) to give ethyl 5 -(5 -bromo-2-fluoropyridin-3 -yl)-2,3 ,6,7-tetrahydrooxepine-4- carboxylate as a pale yellow oil in 74% yield. LCMS (m/z) (M+H) = 344.0/346.0, Rt = 1.04 mm. ?H NIVIR (400 IVIHz, Chloroform-cl) oe 8.17 (dd, J = 2.4, 1.3 Hz, 1H), 7.60 (dd, J = 8.2, 2.5 Hz, 1H), 3.96 (q, J = 7.1 Hz, 2H), 3.84 - 3.75 (m, 4H), 2.96 - 2.86 (m, 2H), 2.78 - 2.70 (m, 2H), 0.96 (t,J7.1 Hz, 3H).

Reference： [1]Patent: WO2017/103824,2017,A1 .Location in patent: Page/Page column 109; 110

41
[ 501435-91-2 ]
6'-fluoro-5'-(4-fluorophenyl)-1-methyl-[3,3'-bipyridin]-1-ium iodide [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 4350 - 4353

42
[ 501435-91-2 ]
5'-(4-chlorophenyl)-6'-fluoro-1-methyl-[3,3'-bipyridin]-1-ium iodide [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 4350 - 4353
[2]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 4350 - 4353

43
[ 501435-91-2 ]
6'-fluoro-1-methyl-5'-phenyl-1,2,5,6-tetrahydro-3,3'-bipyridine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 4350 - 4353

44
[ 501435-91-2 ]
6'-fluoro-5'-(4-fluorophenyl)-1-methyl-1,2,5,6-tetrahydro-3,3'-bipyridine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 4350 - 4353

45
[ 501435-91-2 ]
5'-(4-chlorophenyl)-6'-fluoro-1-methyl-1,2,5,6-tetrahydro-3,3'-bipyridine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 4350 - 4353
[2]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 4350 - 4353

46
[ 501435-91-2 ]
1'-methyl-5-phenyl-1',2',5',6'-tetrahydro-[3,3'-bipyridin]-6(1H)-one [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 4350 - 4353

47
[ 501435-91-2 ]
6-fluoro-5-phenyl-3,3'-bipyridine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 4350 - 4353

48
[ 501435-91-2 ]
6-fluoro-5-(4-fluorophenyl)-3,3'-bipyridine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 4350 - 4353

49
[ 501435-91-2 ]
5-(4-chlorophenyl)-6-fluoro-3,3'-bipyridine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 4350 - 4353

50
[ 501435-91-2 ]
6-fluoro-5-(4-(methylsulfonyl)phenyl)-3,3'-bipyridine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 4350 - 4353

51
[ 501435-91-2 ]
6'-fluoro-1-methyl-5'-phenyl-[3,3'-bipyridin]-1-ium iodide [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 4350 - 4353

52
[ 352-34-1 ]
[ 501435-91-2 ]
5-bromo-2-fluoro-3-(4-fluorophenyl)pyridine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
37%	With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In 1,4-dioxane; water; at 90℃; for 0.75h;Sealed tube;	In a sealed tube, p-dioxane(15 mL) was degassed for 15 min followed by the addition of <strong>[501435-91-2]5-bromo-2-fluoropyridine-3-boronic acid</strong> (4; 1.14 g, 5.18 mmol), 1-fluoro-4-iodobenzene (520muL, 4.5 mmol), Pd(PPh3)4 (260 mg, 0.23 mmol) and then a solution of Na2CO3 (1.9 g,18 mmol) in 10 mL of water, which had been previously degassed for 5 min. The tubewas sealed and heated at 90 C for 45 min. Workup as described above for 5a(dry-packed column, gradient elution with 0 - 0.5 % ethyl acetate in hexanes) gave 5b(450 mg, 37 %) as a white solid. 1H NMR (400 MHz, chloroform-d) delta 8.24 (s, 1H),7.95 (dd, J = 8.6, 1.9 Hz, 1H), 7.56 - 7.49 (m, 2H), 7.18 (t, J = 8.4 Hz, 2H). MSTOFES+: m/z 270.0, 272.0 (M+H)+

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 4350 - 4353

53
[ 637-87-6 ]
[ 501435-91-2 ]
5-bromo-3-(4-chlorophenyl)-2-fluoropyridine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
16%	With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In 1,4-dioxane; water; at 90℃; for 0.833333h;Inert atmosphere;	General procedure: This compound was made by amodification of the literature procedure. A mixture of commercially available <strong>[501435-91-2]5-bromo-2-fluoropyridine-3-boronic acid</strong> (4; 1.24 g, 5.63 mmol) in p-dioxane (15 mL)was degassed via nitrogen bubbling for 15 min. To the mixture was added1-iodobenzene (546 muL, 4.9 mmol) and Pd(PPh3)4 (283 mg, 0.25 mmol), followed byan additional minute of degassing, and then a solution of Na2CO3 (1.43 g, 13.48mmol) in 10 mL of water, which had been previously degassed for 5 min. Themixture was heated under nitrogen at 90 C for 50 min becoming a clear solution. Thecooled mixture was diluted with water and extracted with ethyl acetate (3x). Thecombined extracts were washed with brine, dried, and concentrated to leave a brownoil that was purified via silica gel flash chromatography (dry packing) using gradientelution with 0 - 2 % ethyl acetate in hexanes. Product fractions were combined andconcentrated to leave 5a (457 mg, 37 %) as a clear oil.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 4350 - 4353

54
[ 3466-32-8 ]
[ 501435-91-2 ]
5-bromo-2-fluoro-3-(4-(methylsulfonyl)phenyl)pyridine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
28%	With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In 1,4-dioxane; water; at 90℃; for 0.833333h;Inert atmosphere;	General procedure: This compound was made by amodification of the literature procedure. A mixture of commercially available <strong>[501435-91-2]5-bromo-2-fluoropyridine-3-boronic acid</strong> (4; 1.24 g, 5.63 mmol) in p-dioxane (15 mL)was degassed via nitrogen bubbling for 15 min. To the mixture was added1-iodobenzene (546 muL, 4.9 mmol) and Pd(PPh3)4 (283 mg, 0.25 mmol), followed byan additional minute of degassing, and then a solution of Na2CO3 (1.43 g, 13.48mmol) in 10 mL of water, which had been previously degassed for 5 min. Themixture was heated under nitrogen at 90 C for 50 min becoming a clear solution. Thecooled mixture was diluted with water and extracted with ethyl acetate (3x). Thecombined extracts were washed with brine, dried, and concentrated to leave a brownoil that was purified via silica gel flash chromatography (dry packing) using gradientelution with 0 - 2 % ethyl acetate in hexanes. Product fractions were combined andconcentrated to leave 5a (457 mg, 37 %) as a clear oil.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 4350 - 4353

55
[ 501435-91-2 ]
[ 1202277-96-0 ]

Reference： [1]Patent: WO2009/155389,2009,A1
[2]Patent: WO2009/155388,2009,A1

56
[ 501435-91-2 ]
[ 1202277-97-1 ]

Reference： [1]Patent: WO2009/155389,2009,A1
[2]Patent: WO2009/155388,2009,A1

57
[ 501435-91-2 ]
5-(8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-propylthiazol-2-amine [ No CAS ]

Reference： [1]Patent: WO2009/155389,2009,A1

58
[ 501435-91-2 ]
[ 1202276-21-8 ]

Reference： [1]Patent: WO2009/155388,2009,A1

59
[ 70067-70-8 ]
[ 501435-91-2 ]
C₁₈H₁₂BrFN₂ [ No CAS ]
C₁₈H₁₂BrFN₂ [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2019,vol. 58,p. 6425 - 6429
Angew. Chem.,2019,vol. 131,p. 6491 - 6495,5

Same Skeleton Products

Related Products

Historical Records

Related Functional Groups of
[ 501435-91-2 ]

Fluorinated Building Blocks

[ 910649-58-0 ]

(6-Bromo-2-fluoropyridin-3-yl)boronic acid

Similarity: 0.81

[ 1264133-80-3 ]

(2-Fluoropyridin-3-yl)boronic acid hydrate

Similarity: 0.81

[ 174669-73-9 ]

(2-Fluoropyridin-3-yl)boronic acid

Similarity: 0.81

[ 1072952-27-2 ]

(2,6-Difluoropyridin-3-yl)boronic acid hydrate

Similarity: 0.81

[ 136466-94-9 ]

2,6-Difluoropyridine-3-boronic acid

Similarity: 0.81

Organoboron

[ 910649-58-0 ]

(6-Bromo-2-fluoropyridin-3-yl)boronic acid

Similarity: 0.81

[ 1264133-80-3 ]

(2-Fluoropyridin-3-yl)boronic acid hydrate

Similarity: 0.81

[ 174669-73-9 ]

(2-Fluoropyridin-3-yl)boronic acid

Similarity: 0.81

[ 1072952-27-2 ]

(2,6-Difluoropyridin-3-yl)boronic acid hydrate

Similarity: 0.81

[ 136466-94-9 ]

2,6-Difluoropyridine-3-boronic acid

Similarity: 0.81

Bromides

[ 910649-58-0 ]

(6-Bromo-2-fluoropyridin-3-yl)boronic acid

Similarity: 0.81

[ 452972-09-7 ]

(5-Bromopyridin-3-yl)boronic acid

Similarity: 0.76

[ 1073353-50-0 ]

5-Bromo-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Similarity: 0.75

[ 2304634-96-4 ]

(5-Bromo-2-fluoropyridin-4-yl)boronic acid

Similarity: 0.75

[ 1150114-79-6 ]

(3-Bromo-2-fluoropyridin-4-yl)boronic acid

Similarity: 0.73

Related Parent Nucleus of
[ 501435-91-2 ]

Pyridines

[ 910649-58-0 ]

(6-Bromo-2-fluoropyridin-3-yl)boronic acid

Similarity: 0.81

[ 1264133-80-3 ]

(2-Fluoropyridin-3-yl)boronic acid hydrate

Similarity: 0.81

[ 174669-73-9 ]

(2-Fluoropyridin-3-yl)boronic acid

Similarity: 0.81

[ 1072952-27-2 ]

(2,6-Difluoropyridin-3-yl)boronic acid hydrate

Similarity: 0.81

[ 136466-94-9 ]

2,6-Difluoropyridine-3-boronic acid

Similarity: 0.81

Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Ghs Hazard Statements

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere