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Quality Control of [ 380380-60-9 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 380380-60-9 ]

Product Details of [ 380380-60-9 ]

CAS No. :	380380-60-9	MDL No. :	MFCD08062726
Formula :	C₆H₄BrN₅	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	LBDJSOHAVRCQPD-UHFFFAOYSA-N
M.W :	226.03	Pubchem ID :	23438683
Synonyms :

Calculated chemistry of [ 380380-60-9 ] Expand+

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	11
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	45.11
TPSA :	67.35 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) :	-7.06 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.35
Log Po/w (XLOGP3) :	0.87
Log Po/w (WLOGP) :	1.02
Log Po/w (MLOGP) :	0.99
Log Po/w (SILICOS-IT) :	1.82
Consensus Log Po/w :	1.21

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-2.4
Solubility :	0.896 mg/ml ; 0.00396 mol/l
Class :	Soluble
Log S (Ali) :	-1.87
Solubility :	3.06 mg/ml ; 0.0135 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-3.5
Solubility :	0.0723 mg/ml ; 0.00032 mol/l
Class :	Soluble

Medicinal Chemistry

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

Safety of [ 380380-60-9 ]

Signal Word:	Danger	Class:	4.1
Precautionary Statements:	P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313	UN#:	1325
Hazard Statements:	H315-H319-H228	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 380380-60-9 ]

* 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 [ 380380-60-9 ]

[ 380380-60-9 ] Synthesis Path-Downstream 1~8

1
[ 380380-60-9 ]
[ 74-88-4 ]
[ 380380-64-3 ]
[ 380380-63-2 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; In DMF (N,N-dimethyl-formamide); at 0 - 20℃; for 2h;	5-Bromo-2-(2-methyl-2H-tetrazol-5-yl) pyridine and 5-bromo-2- (1-methyl-1H-tetrazol-5- yl) pyridine. 5-Bromo-2-(2-methyl-2H-tetrazol-5-yl)pyridine and 5-bromo-2-(1-methyl-1H-tetrazol-5- yl) pyridine were prepared according to the procedure described by Dong A Pharmaceuticals (WO 01/94342). A mixture of 6.5 g unpurified 5-bromo-2-tetrazol-5-ylpyridine [Dong A Pharmaceuticals (WO 01/94342) ] (~28 mmol) and sodium hydroxide (9 g, 125 mmol) in dry dmf was evaporated to dryness under reduced pressure. A stirred solution of the involatile residue in dry DMF (50 mL) was treated dropwise at ice-bath temperature with iodomethane (3.0 ML, 48 mmol). The stirred reaction mixture was allowed to warm and then maintained at room temperature for 2 hours. The reaction mixture was partitioned between iced water and ethyl acetate. The organic phase was washed with water, dried over magnesium sulfate, and tehn evaporated under reduced pressure to give a residue that was purified by chromatography on silica gel [elution with dichloromethane : ethyl acetate (60: 1) ] to give: 1. 5-bromo-2- (1-methyl-1H-tetrazol-5-yl)pyridine (1.397 g), a colorless solid, (TLC: silica-gel, hexanes: ethyl acetate (4: 1), Rf: 0. 3), 1H-NMR (DMSO-d6) (300 MHz) 8 : 4.38 (s, 3H); 8.17 (d, 1H); 8.35 (dd, 1H); 8.96 (d, 1H). 2. 5-bromo-2-(2-methyl-2H-tetrazol-5-yl)pyridine (1.07 g), a colorless solid, (TLC: silica-gel, hexanes: ethyl acetate (4: 1), Rf : 0. 1). 1H-NMR (DMSO-d6) (300 MHz) No. : 4.46 (s, 3H); 8.09 (d, 1H) ; 8.28 (dd, 1H) ; 8.88 (d, 1H).
	With sodium hydroxide; In DMF (N,N-dimethyl-formamide); at 0 - 20℃; for 2h;	5-BROMO-2- (2-METHYL-2H-TETRAZOL-5-YL) PYRIDINE AND 5-BROMO-2- (L-METHYL-LH-TETRAZOL-5- YL) pyridine 5-Bromo-2-(2-methyl-2H-tetrazol-5-yl) pyridine and 5-BROMO-2- (1-METHYL-LH-TETRAZOL-5- YL) pyridine were prepared according to the procedure described by Dong A Pharmaceuticals (WO 01/94342). A mixture of 6.5 g unpurified <strong>[380380-60-9]5-BROMO-2-TETRAZOL-5-YLPYRIDINE</strong> [Dong A Pharmaceuticals (WO 01/94342)] (-28 mmol) and sodium hydroxide (9 g, 125 mmol) in dry DMF was evaporated to dryness under reduced pressure. A stirred solution of the involatile residue in dry DMF (50 ML) was treated dropwise at ice-bath temperature with iodomethane (3.0 mL, 48 mmol). The stirred reaction mixture was allowed to warm and then maintained at room temperature for 2 hours. The reaction mixture was partitioned between iced water and ethyl acetate. The organic phase was washed with water, dried over magnesium sulfate, and tehn evaporated under reduced pressure to give a residue that was purified by chromatography on silica gel [elution with dichloromethane : ethyl acetate (60: 1) ] to give: 1. 5-bromo-2-(1-methyl-1H-tetrazol-5-yl) pyridine (1.397 g), a colorless solid, (TLC: silica-gel, hexanes: ethyl acetate (4: 1), Rf: 0.3),'H-NMR (DMSO-D) (300 MHz) 8 : 4.38 (s, 3H); 8.17 (d, 1H); 8.35 (dd, 1H); 8.96 (d, 1H). 2. 5-bromo-2-(2-methyl-2H-tetrazol-5-yl) pyridine (1.07 g), a colorless solid, (TLC: silica-gel, hexanes: ethyl acetate (4: 1), Rf: 0. 1). LH-NMR (DMSO-DSLT300 MHz) 8 4.46 (s, 3H); 8.09 (d, 1H); 8.28 (dd, 1H) ; 8.88 (d, 1H). Structure assignment based on nmr HMBC experiments, in which long range coupling of the protons of CH3 to the C5 of the tetrazole ring is observed in the 1-methyl-1H-isomer of Rf 0.3, but not in the 2-methyl-2H-isomer of Rf 0.1). The compound referred to as 5-bromo-2- (1-METHYL-LH-TETRAZOL-5-YL) pyridine is thus the isomer of Rf 0.3 and the compound referred to as 5-BROMO-2-(2-METHYL-2H-TETRAZOL-5-YL) PYRIDINE is thus the ISOMER OF RF 0. 1
	With sodium hydroxide; In DMF (N,N-dimethyl-formamide); at 0 - 20℃; for 2h;	5-BROMO-2-(2-METHYL-2H-TETRAZOL-5-YL) PENDINE AND 5-BROMO-2-(1-METHEL-LH-TETRAZOL-5- 1 pyridine 5-BROMO-2- (2-METHYL-2H-TETRAZOL-5-YL) PYRIDINE AND 5-BROMO-2- (L-METHYL-LH-TETRAZOL-5- yl) pyridine were prepared according to the procedure described by Dong A Pharmaceuticals (WO 01/94342). A mixture of 6.5 g unpurified <strong>[380380-60-9]5-BROMO-2-TETRAZOL-5-YLPYRIDINE</strong> [Dong A Pharmaceuticals (WO 01/94342)] (-28 mmol) and sodium hydroxide (9 g, 125 mmol) in dry DMF was evaporated to dryness under reduced pressure. A stirred solution of the involatile residue in dry DMF (50 ML) was treated dropwise at ice-bath temperature with iodomethane (3.0 mL, 48 mmol). The stirred reaction mixture was allowed to warm and then maintained at room temperature for 2 hours. The reaction mixture was partitioned between iced water and ethyl acetate. The organic phase was washed with water, dried over magnesium sulfate, and tehn evaporated under reduced pressure to give a residue that was purified by chromatography on silica gel [ELUTION WITH DICHLOROMETHANE: ETHYL ACETATE (60: 1) ] TO GIVE: 1. 5-BROMO-2-(1-METHYL-LH-TETRAZOL-5-YL) pyridine (1.397 g), a colorless solid, (TLC: silica-gel, hexanes: ethyl acetate (4: 1), Rf: 0. 3), 1H-NMR (DMSO-D6) (300 MHZ) 8 : 4.38 (s, 3H); 8.17 (d, 1H); 8.35 (dd, 1H); 8.96 (d, 1H). 2. 5-BROMO-2- (2-METHYL-2H-TETRAZOL-5-YL) pyridine (1.07 g), a colorless solid, (TLC: silica-gel, hexanes: ethyl acetate (4: 1), Rf: 0. 1). LH-NMR (DMSO-D) (300 MHZ) 8 4.46 (s, 3H); 8.09 (d, 1H) ; 8.28 (dd, 1H); 8.88 (d, 1H). Structure assignment based on HMBC experiments, in which long range coupling of the protons of CH3 to the C5 of the tetrazole ring is observed in the 1-METHYL-LH-ISOMER of Rf 0.3, but not in the 2-methyl-2H-isomer of Rf 0.1). The compound referred to as 5-bromo-2- (1-METHYL-1H-TETRAZOL-5-YL) PYRIDINE is thus the isomer of Rf 0.3 and the compound referred to as 5-BROMO-2-(2-METHYL-2H-TETRAZOL-5-YL) PYRIDINE is thus the isomer OF RF 0. 1

		A mixture of 6.5 g unpurified 5-bromo-2-tetrazol-5-ylpyridine [Dong A Pharmaceuticals (WO 01/94342)] (-28 mmol) and sodium hydroxide (9 g, 125 mmol) in dry DMF was evaporated to dryness under reduced pressure. A stirred solution of the involatile residue in dry DMF (50 ML) was treated dropwise at ice-bath temperature with iodomethane (3.0 mL, 48 mmol). The stirred reaction mixture was allowed to warm and then maintained at room temperature for 2 hours. The reaction mixture was partitioned between iced water and ethyl acetate. The organic phase was washed with water, dried over magnesium sulfate, and tehn evaporated under reduced pressure to give a residue that was purified by chromatography on silica gel [elution with dichloromethane: ethyl acetate (60: 1) ] to give: 1. 5-BROMO-2- (L-METHYL-LH-TETRAZOL-5-YL) pyridine (1.397 g), a colorless solid, (TLC: silica-gel, hexanes: ethyl acetate (4: 1), Rf: 0. 3), (DMSO-D6) (300 MHZ) 8 : 4.38 (s, 3H); 8.17 (d, 1H) ; 8.35 (dd, 1H); 8.96 (d, 1H). 2. 5-BROMO-2- (2-METHYL-2H-TETRAZOL-5-YL) pyridine (1.07 g), a colorless solid, (TLC: silica-gel, hexanes: ethyl acetate (4: 1), Rf: 0. 1). 1H-NMR (DMSO-D6) (300 MHZ) 8 4.46 (s, 3H); 8.09 (d, 1H); 8.28 (dd, 1H); 8.88 (d, 1H). Structure assignment based on HMBC experiments, in which long range coupling of the protons of CH3 to the C5 of the tetrazole ring is observed in the 1-METHYL-LH-ISOMER of Rf 0.3, but not in the 2-methyl-2H-isomer of Rf 0.1). The compound referred to as 5-bromo-2- (1-METHYL-LH-TETRAZOL-5-YL) pyridine is thus the isomer of Rf 0.3 and the compound referred to as 5-BROMO-2- (2-METHYL-2H-TETRAZOL-5-YL) pyridine is thus the isomer OF RF 0. 1
	With potassium hydroxide; In N,N-dimethyl-formamide; at 20℃; for 23h;	To the solution of crude <strong>[380380-60-9]5-bromo-2-(2H-tetrazol-5-yl)pyridine</strong>(3.15 g,.13.9 mmol) in DMF (32 mL) was added MeI (7.92 g, 55.8 mmol) and KOH (1.95 g, 34.8 mmol) at room temperature. The mixture was stirred for 23 h at r.t.. The reaction mixture was poured into ice water (100 mL) and extracted with EtOAc. The organic layer was washed with brine, dried (Na2SO4), and evaporated under vacuum to give a residue, further purified by flash column chromatography (hexanes - EtOAc from 50: 1 to 10:1) to give 5-bromo-2- (2-methyl-2H-tetrazol-5-yl)pyridine as yellow solid (1.32 g, 43% yield over 2 steps) and 5- bromo-2-(l-methyl-lH-tetrazol-5-yl)pyridine as a white solid (0.97 g, 32% yield, 2 steps).

Reference： [1]European Journal of Organic Chemistry,2016,vol. 2016,p. 1305 - 1313
[2]Patent: WO2004/48350,2004,A2 .Location in patent: Page 60-61
[3]Patent: WO2004/56819,2004,A1 .Location in patent: Page 52-53
[4]Patent: WO2004/56818,2004,A1 .Location in patent: Page 52-53
[5]Patent: WO2004/56816,2004,A1 .Location in patent: Page 52-53
[6]Patent: WO2008/108988,2008,A1 .Location in patent: Page/Page column 52

2
[ 97483-77-7 ]
[ 380380-60-9 ]

Yield	Reaction Conditions	Operation in experiment
91.8%	With pyridine; sodium azide; zinc(II) chloride; at 40 - 120℃; for 2h;	Pyridine (40.0 mL, 4.0 v/w) was placed in a reactor, and zinc chloride (11.2 g, 81.9 mmol) was added dropwise at 40C or less. Thereafter, sodium azide (8.90 g, 137 mmol) and 5-bromo-2-cyanopyridine (10.0 g, 54.6 mmol) were added into the reactor, and the reaction mixture was stirred to reflux at 120C for 2 hr. After the termination of the reaction, the reaction product was cooled to room temperature, added with purified water (200 mL, 20.0 v/w), stirred at room temperature for 1 hr, filtered, and washed with purified water (200 mL, 20.0 v/w). The filtered solid was added with a 6 N hydrochloric acid aqueous solution (200 mL, 20.0 v/w) and then stirred at room tem[43jperature for 2 hr. The reaction product was filtered, washed with purified water (200mL, 20.0 v/w), and concentrated under reduced pressure, thus yielding a desired whitecompound. Yield (11.34 g, 91.8%), Purity 99.4%5-bromo-2-(2H-tetrazol-5-yl)pyridine:1H NMRoe (DMSO-d6, ppm) 8.95 (d,1H), 8.35 (dd,1H), 8.17 (d,1H)
	With sodium azide; ammonium chloride; In DMF (N,N-dimethyl-formamide); at 120℃; for 1h;	5-Bromo-2-tetrazol-5-ylpyridine. A mixture OF 3-bromo-6-cyano-pyridine (2 g, 10.9 mmol), sodium azide (0.85 g, 13 mmol), and ammonium chloride (0.59 g, 11 mmol) in N,N-dimethylformamide (20 mL) was heated for 1 h at 120 C. The reaction mixture was diluted with ethyl acetate (~ 100 mL) and the product was isolated by filtration and then washed with ethyl acetate to give the title compound, an off-white amorphous solid which was used in the next step without further purification.
	With sodium azide; ammonium chloride; In DMF (N,N-dimethyl-formamide); at 120℃; for 1h;	5-BROMO-2-TETRAZOL-5-YLPYRIDINE A mixture of 3-BROMO-6-CYANO-PYRIDINE (2 g, 10.9 mmol), sodium azide (0.85 g, 13 mmol), and ammonium chloride (0. 59 g, 11 mmol) in N, N-DIMETHYLFORMAMIDE (20 mL) was heated for 1 h at 120 C. The reaction mixture was diluted with ethyl acetate (-100 ML) and the product was isolated by filtration and then washed with ethyl acetate to give the title compound, an off-white amorphous solid which was used in the next step without further purification.

	With sodium azide; ammonium chloride; In DMF (N,N-dimethyl-formamide); at 120℃; for 1h;	5-Bromo-2-tetrazol-5-ylpyridine A mixture of 3-BROMO-6-CYANO-PYRIDINE (2 g, 10.9 mmol), sodium azide (0.85 g, 13 mmol), and ammonium chloride (0.59 g, 11 mmol) in N, N-dimethylformamide (20 mL) was heated for 1 h at 120 C. The reaction mixture was diluted with ethyl acetate (-100 mL) and the product was isolated by filtration and then washed with ethyl acetate to give the title compound, an off-white amorphous solid which was used in the next step without further purification
	With sodium azide; ammonium chloride; In DMF (N,N-dimethyl-formamide); at 120℃; for 1h;	A mixture of 3-bromo-6-cyano-pyridine (2 g, 10.9 mmol), sodium azide (0.85 g, 13 mmol), and ammonium chloride (0.59 g, 11 mmol) in N, N-DIMETHYLFORMAMIDE (20 mL) was heated for 1 h at 120 C. The reaction mixture was diluted with ethyl acetate (-100 mL) and the product was isolated by filtration and then washed with ethyl acetate to give the title compound, an off-white amorphous solid which was used in the next step without further purification.
		To the solution of 5-bromopicolinonitrile (2.33 g, 12.7 mmol) in DMF (26 mL) was added NH4Cl (2.18 g, 40.7 mmol) and NaN3 (1.24 g, 19.1 mmol) at r.t.and the mixture was heated to 120 0C for 4 h. The reaction mixture was poured into ice water (100 mL) and acidified to pH=2 with 6N HCl, stirred for 1 h, and the mixture was extracted with EtOAc. The organic phases were combined, dried (Na2SO4) and evaporated under vacuum to give crude 5-bromo-2-(2H-tetrazol-5-yl)pyridine in 3.15g, which was used for next step without further purification.

Reference： [1]Patent: WO2017/99530,2017,A1 .Location in patent: Paragraph 47; 48; 49; 50
[2]European Journal of Organic Chemistry,2016,vol. 2016,p. 1305 - 1313
[3]Patent: WO2004/48350,2004,A2 .Location in patent: Page 60
[4]Patent: WO2004/56818,2004,A1 .Location in patent: Page 52
[5]Patent: WO2004/56819,2004,A1 .Location in patent: Page 52
[6]Patent: WO2004/56816,2004,A1 .Location in patent: Page 52
[7]Patent: CN106432182,2017,A
[8]Patent: WO2008/108988,2008,A1 .Location in patent: Page/Page column 52

3
[ 380380-60-9 ]
[ 85951-09-3 ]
[ 700370-50-9 ]
C₂₁H₃₈BrN₅O₂Si₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 20℃;	2-[5-(5-bromopyridin-2-yl)-1H-tetrazol-1-ylpropane-1,3-diol. 5-Bromo-2-(2H-tetrazol-5-yl)pyridiue 0.56 g (2.5 mmol) (WO 0194342 Al, the free acid was generated by dissolving the material obtained following the procedure in WO 0194342 Al (1 g) in hot water (70 mL, 90 C) ; upon addition OF HCl (aqueous, 1M, 4 mL) and cooling to room temperature the free acid precipitated, was collected by filtration, washed with water and dried under high vacuum to give 0.56 g free acid), triphenylphosphine (0.65 g, 2.5 mmol) and 1,3-bis-(tert-butyl-dimethyl-silanyloxy)-propan-2-ol (0.79 g, 2.5 mmol) (D. P. Curran and J.-C. Chao, Synth. Commun. 20, No 22, 1990, 3575-3584) were dissolved/suspended in dry THF (25 mL). It was cooled to 0C and diisopropylazodicarboxylate (0.49 mL, 2.5 mmol) was added and the reaction was allowed to warm to room temp. over night. The solvent was evaporated under reduced pressure and the residue subjected to chromatography on silica gel with hexanes/ethyl acetate (30: 1) to give the bis-silyl ether of the title compound as a mixture together with the corresponding 2H-tetrazole regioisomer (809 mg). This mixture was dissolved in dry THF (10 mL), cooled to 0C and tetrabutylammonium fluoride (1M in THF, 5 mL, 5 mmol) was added drop wise. After one hour solvent was evaporated and the residue subjected to chromatography on silica gel with dichloromethane/acetone (3:1 to 2:1) to give 318 mg of the title compound and 69 mg of the corresponding regioisomeric 2H-substituted tetrazole. The assignment of structure was based on NOE-NMR experiments with the title compound. 1H-NMR (DMSO-d6) delta: 3.80-3.95 (m, 4H); 5.01 (t, 2H); 5.69 (m, 1H) ; 8.14 (m, 1H); 8.35 (m, 1H) ; 8.94 (m, 1H).

Reference： [1]Patent: WO2004/48350,2004,A2 .Location in patent: Page 70

4
[ 380380-60-9 ]
[ 590-17-0 ]
[ 1217273-69-2 ]

Yield	Reaction Conditions	Operation in experiment
52%	With potassium hydroxide; In N,N-dimethyl-formamide; at 0 - 20℃;	KOH (1.7 g, 30.6 mmol) was added to a solution of Intermediate 37 (3.46 g, 15.3 mmol) in 35 mL of DMF at 0 C. Then BrCH2CN (3.2 mL, 45.9 mmol) was added dropwise. The mixture was stirred at r.t. o.n. Then 400 mL of ice-water was added and extracted with EtOAc. The organic phase was washed with brine, dried and evaporated. Purification by silica gel column (petroleum ether/EtOAc=1/3) gave 2.1 g of Intermediate 38 (yield 52%).

Reference： [1]Patent: US2010/69441,2010,A1 .Location in patent: Page/Page column 38

5
[ 380380-60-9 ]
[ 380380-59-6 ]

Yield	Reaction Conditions	Operation in experiment
75%		Intermediate 37 (5.3 g, 23.4 mol) was dissolved in Ac2O (80 mL) at r.t. and pyridine (9.2 mL) was added. The mixture was heated to 130 C. for 1.5 h. Then the solution was poured into ice-water (400 mL) and PH was adjusted to 3-4 with 6 N HCl (aq). The mixture was stirred for 20 min and filtered. The desired product was collected as a white solid (4.25 g, 75%).

Reference： [1]Patent: US2010/69441,2010,A1 .Location in patent: Page/Page column 39

6
[ 380380-60-9 ]
[ 1056039-83-8 ]

Reference： [1]European Journal of Organic Chemistry,2016,vol. 2016,p. 1305 - 1313
[2]Patent: WO2008/108988,2008,A1

7
[ 380380-60-9 ]
(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)pyridin-3-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2016,vol. 2016,p. 1305 - 1313

8
[ 380380-60-9 ]
C₁₉H₁₇FN₆O₄ [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2016,vol. 2016,p. 1305 - 1313

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Technical Information

• Alkyl Halide Occurrence • General Reactivity • Grignard Reaction • Hiyama Cross-Coupling Reaction • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Preparation of Amines • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Dihalides • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling

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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

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

[ CAS No. 380380-60-9 ] {[proInfo.proName]}

Quality Control of [ 380380-60-9 ]

Related Doc. of [ 380380-60-9 ]

Product Details of [ 380380-60-9 ]

Calculated chemistry of [ 380380-60-9 ] Expand+

Physicochemical Properties

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Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 380380-60-9 ]

Application In Synthesis of [ 380380-60-9 ]

[ 380380-60-9 ] Synthesis Path-Downstream 1~8

Technical Information

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