[ CAS No. 16867-04-2 ] {[proInfo.proName]}

Name: 16867-04-2|2,3-Dihydroxypyridine|97%
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Quality Control of [ 16867-04-2 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 16867-04-2 ]

CAS No. :	16867-04-2	MDL No. :	MFCD00006271
Formula :	C₅H₅NO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	GGOZGYRTNQBSSA-UHFFFAOYSA-N
M.W :	111.10	Pubchem ID :	28115
Synonyms :

Calculated chemistry of [ 16867-04-2 ]

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	28.28
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) :	-6.64 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.22
Log Po/w (XLOGP3) :	0.48
Log Po/w (WLOGP) :	0.49
Log Po/w (MLOGP) :	-0.45
Log Po/w (SILICOS-IT) :	0.49
Consensus Log Po/w :	0.45

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.39
Solubility :	4.57 mg/ml ; 0.0411 mol/l
Class :	Very soluble
Log S (Ali) :	-1.17
Solubility :	7.52 mg/ml ; 0.0677 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.81
Solubility :	17.1 mg/ml ; 0.154 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.33

Safety of [ 16867-04-2 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 16867-04-2 ]

* 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.

Upstream synthesis route of [ 16867-04-2 ]
Downstream synthetic route of [ 16867-04-2 ]

[ 16867-04-2 ] Synthesis Path-Upstream 1~24

1
[ 89694-54-2 ]
[ 16867-04-2 ]
[ 6636-78-8 ]

Reference： [1] Recueil des Travaux Chimiques des Pays-Bas, 1951, vol. 70, p. 182,190

2
[ 16867-04-2 ]
[ 19365-08-3 ]

Reference： [1] Acta Chemica Scandinavica (1947-1973), 1957, vol. 11, p. 914
[2] Zeitschrift fuer Naturforschung, B: Chemical Sciences, 1987, vol. 42, # 6, p. 785 - 790

3
[ 98-01-1 ]
[ 613-75-2 ]
[ 16867-04-2 ]

Reference： [1] Tohoku J.agric.Res., 1954, vol. 5, p. 147,150[2] Chem.Abstr., 1956, p. 4941

4
[ 109-00-2 ]
[ 16867-04-2 ]
[ 10182-48-6 ]

Reference： [1] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1993, vol. 29, # 6, p. 730 - 731[2] Khimiya Geterotsiklicheskikh Soedinenii, 1993, # 6, p. 847 - 848

5
[ 63756-60-5 ]
[ 16867-04-2 ]

Reference： [1] Chemische Berichte, 1928, vol. 61, p. 1028

6
[ 109-00-2 ]
[ 6602-28-4 ]
[ 16867-04-2 ]
[ 10182-48-6 ]

Reference： [1] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1993, vol. 29, # 6, p. 730 - 731[2] Khimiya Geterotsiklicheskikh Soedinenii, 1993, # 6, p. 847 - 848

7
[ 142-08-5 ]
[ 16867-04-2 ]

Reference： [1] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1985, vol. 24, p. 972 - 973

8
[ 89694-54-2 ]
[ 16867-04-2 ]
[ 6636-78-8 ]

Reference： [1] Recueil des Travaux Chimiques des Pays-Bas, 1951, vol. 70, p. 182,190

9
[ 63430-18-2 ]
[ 16867-04-2 ]

Reference： [1] Nippon Nogei Kagaku Kaishi, 1940, vol. 16, p. 249,253, 264[2] Chem.Abstr., 1940, p. 6278,6940
[3] Nippon Nogei Kagaku Kaishi, 1940, vol. 16, p. 249,253, 264[4] Chem.Abstr., 1940, p. 6278,6940

10
[ 13472-83-8 ]
[ 16867-04-2 ]

Reference： [1] Chemische Berichte, 1936, vol. 69, p. 2593,2604

11
[ 39658-49-6 ]
[ 16867-04-2 ]

Reference： [1] Acta Chemica Scandinavica (1947-1973), 1955, vol. 9, p. 14

12
[ 71847-96-6 ]
[ 16867-04-2 ]

Reference： [1] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1985, vol. 24, p. 972 - 973

13
[ 109-00-2 ]
[ 16867-04-2 ]

Reference： [1] Chemische Berichte, 1936, vol. 69, p. 2593,2604

14
[ 40263-57-8 ]
[ 16867-04-2 ]

Reference： [1] Chemische Berichte, 1936, vol. 69, p. 2593,2604

15
[ 861019-58-1 ]
[ 16867-04-2 ]

Reference： [1] Nippon Nogei Kagaku Kaishi, 1940, vol. 16, p. 249,253, 264[2] Chem.Abstr., 1940, p. 6278,6940

16
[ 324028-89-9 ]
[ 16867-04-2 ]

Reference： [1] Nippon Nogei Kagaku Kaishi, 1940, vol. 16, p. 249,253, 264[2] Chem.Abstr., 1940, p. 6278,6940

17
[ 109-00-2 ]
[ 16867-04-2 ]
[ 10182-48-6 ]

Reference： [1] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1993, vol. 29, # 6, p. 730 - 731[2] Khimiya Geterotsiklicheskikh Soedinenii, 1993, # 6, p. 847 - 848

18
[ 109-00-2 ]
[ 6602-28-4 ]
[ 16867-04-2 ]
[ 10182-48-6 ]

Reference： [1] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1993, vol. 29, # 6, p. 730 - 731[2] Khimiya Geterotsiklicheskikh Soedinenii, 1993, # 6, p. 847 - 848

19
[ 16867-04-2 ]
[ 106-93-4 ]
[ 129421-32-5 ]

Yield	Reaction Conditions	Operation in experiment
5.7%	With potassium carbonate In N,N-dimethyl-formamide at 20 - 90℃;	a-1) Preparation of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine2,3-Dihydroxypyridine (2.22 g, 20.0 mmol) was dissolved in N,N'-dimethylformamide (100 mL), and added potassium carbonate (5.52 g, 40.0 mmol) at room temperature. 5 minutes after, 1,2-dibromoethane (2.6 mL, 30.0 mmol) was added at the same temperature, and stirred at 90° C. overnight. The reaction solution was reverted to room temperature, filtered, and the obtained filtrate was concentrated in vacuo. Then, the obtained residue was added ethyl acetate. The suspension was filtered, washed ethyl acetate, and concentrated in vacuo. The title compound (157 mg (yield 5.7percent)) was obtained as a colorless oil.¹H-NMR (CDCl₃) δ: 4.26-4.28 (2H, m), 4.42-4.44 (2H, m), 6.94 (1H, dd, J=5.6, 7.6 Hz), 7.28 (1H, dd, J=1.2, 7.6 Hz), 7.69 (1H, dd, J=1.2, 5.6 Hz).

Reference： [1] Patent: US2010/280013, 2010, A1, . Location in patent: Page/Page column 49
[2] Patent: WO2015/42397, 2015, A1, . Location in patent: Paragraph 000788

20
[ 16867-04-2 ]
[ 107-04-0 ]
[ 129421-32-5 ]

Yield	Reaction Conditions	Operation in experiment
6.9 g	With potassium carbonate; sodium iodide In acetonitrile at 100℃; for 20 h; Inert atmosphere	A solution of 2,3-dihydroxy pyridine (10.0 g, 0.09 mole) in acetonitrile (200 mL) under N₂ at 25 °C, was added potassium carbonate (99.4 g, 0.72 mole), 1-bromo 2-chloro ethane (25.7 g, 0.18 mole), sodium iodide (1.3 g, 0.009 mole) and heated to 100 °C for 20 hours. Reaction mixture was filtered through celite, and washed with ethyl acetate (50 mL x 2). The filtrate was concentrated under vacuum to obtain the title compound. Yield: 6.9 g; ^lH - NMR (DMSO- ₆, 400 MHz) δ ppm: 4.22- 4.24 (d, 2H), 4.37 - 4.39 (d, 2H), 6.90 - 6.95 (m, 1H), 7.26 - 7.28 (d,J = 0.9,7.8 Hz, 1H), 7.72 - 7.73 (d, J = 1.0, 4.4 Hz, 1H), Mass (m/z): 137.9 (M+H)⁺.

Reference： [1] Patent: WO2018/42362, 2018, A1, . Location in patent: Page/Page column 111

21
[ 16867-04-2 ]
[ 95897-49-7 ]

Reference： [1] Patent: WO2015/42397, 2015, A1,

22
[ 16867-04-2 ]
[ 75-03-6 ]
[ 909854-16-6 ]

Yield	Reaction Conditions	Operation in experiment
41%	With sodium t-butanolate In methanol at 100℃; for 0.333333 h; Irradiation	To a solution of 2,3-dihydroxypyridine (5.0 g, 45.0 mmol, 1.0 equiv) and sodium tert-butoxide (4.33 g, 45.0 mmol, 1.0 equiv) in methanol (25 mL) was added ethyl iodide (5.21 mL, 7.72 g, 49.5 mmol, 1.1 equiv) and the reaction mixture heated to 100° C. under microwave irradiation for 20 min. The solvent was removed and the reaction product dissolved in dichloromethane (50 mL), the obtained suspension filtered and the organic phase concentrated by evaporation under reduced pressure. The crude material was purified by column chromatography on silica eluting with dichloromethane/methanol (9:1) yielding 3.0 g (41percent) of the title compound. ¹H NMR (300 MHz, CDCl₃): δ 1.50 (t, J=7.0 Hz, 3H), 4.05 (q, J=7.0 Hz, 2H), 6.20 (t, J=7.1 Hz, 1H), 6.76 (dd, J=7.4 Hz, J=1.3 Hz, 1H), 7.05 (dd, J=6.5 Hz, J=1.3 Hz, 1H), 13.36 (br s, 1H).

Reference： [1] Patent: US2006/205718, 2006, A1, . Location in patent: Page/Page column 35-36

23
[ 16867-04-2 ]
[ 64-67-5 ]
[ 909854-16-6 ]

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 5, p. 1135 - 1139

24
[ 16867-04-2 ]
[ 75711-01-2 ]

Reference： [1] Patent: WO2006/112828, 2006, A1,

[ 16867-04-2 ] Synthesis Path-Downstream 1~18

1
[ 16867-04-2 ]
[ 19365-08-3 ]

Reference： [1]Acta Chemica Scandinavica (1947),1957,vol. 11,p. 914
[2]Zeitschrift fur Naturforschung, B: Chemical Sciences,1987,vol. 42,p. 785 - 790

2
[ 13472-83-8 ]
[ 16867-04-2 ]

Reference： [1]Chemische Berichte,1936,vol. 69,p. 2593,2604

3
[ 109-00-2 ]
[ 6602-28-4 ]
[ 16867-04-2 ]
[ 10182-48-6 ]
1,2-dihydro-2,3-dihydroxypyridine [ No CAS ]

Reference： [1]Chemistry of Heterocyclic Compounds,1993,vol. 29,p. 730 - 731
Khimiya Geterotsiklicheskikh Soedinenii,1993,p. 847 - 848

4
[ 109-00-2 ]
[ 16867-04-2 ]
[ 10182-48-6 ]

Reference： [1]Chemistry of Heterocyclic Compounds,1993,vol. 29,p. 730 - 731
Khimiya Geterotsiklicheskikh Soedinenii,1993,p. 847 - 848

5
[ 16867-04-2 ]
[ 33630-99-8 ]

Reference： [1]Journal of Heterocyclic Chemistry,1983,vol. 20,p. 1329 - 1334

6
[ 16867-04-2 ]
[ 77-78-1 ]
[ 20928-63-6 ]

Yield	Reaction Conditions	Operation in experiment
75.5%	With sodium hydroxide In water at 20℃; for 3h;
	Stage #1: dihydroxypyridine With sodium hydroxide In water at 0℃; for 0.25h; Stage #2: dimethyl sulfate In water at 20℃; for 3h;	89 Example 89: N-(4-((2-((5-cyclopropyl-1-methyl-2-oxo- 1,2-dihydropyridin-3 -yl)oxy)-1-methyl-1H-benzo[d]imidazol-6-yl)oxy)pyridin-2-yl)acetamide [0634] Synthesis of compound 89.2. To a 1 M aqueous solution of sodium hydroxide (51 mL, 135 mmol, 1.0 equiv) at 0 °C was added 89.1 (15 g, 135 mmol, 1.0 equiv). After 15 min dimethyl sulfate (12.8 mL, 135 mmol, 1.0 equiv) was added at 0 °C. The reaction mixture was stirred at room temperature for 3 h. It was neutralized with acetic acid to pH 7 and extracted with dichloromethane. The combined organic layers were washed with brine, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The residue was purified by flash column chromatography on silica gel (CombiFlash, 3.2% methanol in dichloromethane as eluant) to afford 89.2. MS (ES): m/z 126.2 [M+H]+.

Reference： [1]Hanessian, Stephen; Saavedra, Oscar M; Mascitti, Vincent; Marterer, Wolfgang; Oehrlein, Reinhold; Mak, Ching-Pong [Tetrahedron, 2001, vol. 57, # 16, p. 3267 - 3280]
[2]Current Patent Assignee: AJAX THERAPEUTICS - WO2021/226261, 2021, A1 Location in patent: Paragraph 0633-0634

7
[ 16867-04-2 ]
[ 33341-99-0 ]

Reference： [1]Heterocycles,1984,vol. 22,p. 2277 - 2283
[2]Patent: US2012/214762,2012,A1

8
[ 324028-89-9 ]
[ 16867-04-2 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: concentrated HI / 140 °C 2: calcium oxide

Reference： [1]Aso [Nippon Nogeikagaku Kaishi, 1940, vol. 16, p. 249,253, 264][Chem.Abstr., 1940, p. 6278,6940]

9
[ 16867-04-2 ]
[ 75-03-6 ]
[ 909854-16-6 ]

Yield	Reaction Conditions	Operation in experiment
41%	With sodium t-butanolate; In methanol; at 100℃; for 0.333333h;Irradiation;	To a solution of 2,3-dihydroxypyridine (5.0 g, 45.0 mmol, 1.0 equiv) and sodium tert-butoxide (4.33 g, 45.0 mmol, 1.0 equiv) in methanol (25 mL) was added ethyl iodide (5.21 mL, 7.72 g, 49.5 mmol, 1.1 equiv) and the reaction mixture heated to 100 C. under microwave irradiation for 20 min. The solvent was removed and the reaction product dissolved in dichloromethane (50 mL), the obtained suspension filtered and the organic phase concentrated by evaporation under reduced pressure. The crude material was purified by column chromatography on silica eluting with dichloromethane/methanol (9:1) yielding 3.0 g (41%) of the title compound. 1H NMR (300 MHz, CDCl3): delta 1.50 (t, J=7.0 Hz, 3H), 4.05 (q, J=7.0 Hz, 2H), 6.20 (t, J=7.1 Hz, 1H), 6.76 (dd, J=7.4 Hz, J=1.3 Hz, 1H), 7.05 (dd, J=6.5 Hz, J=1.3 Hz, 1H), 13.36 (br s, 1H).

Reference： [1]Patent: US2006/205718,2006,A1 .Location in patent: Page/Page column 35-36

10
[ 16867-04-2 ]
[ 64992-03-6 ]
[ 1178908-05-8 ]

Yield	Reaction Conditions	Operation in experiment
81%	Stage #1: dihydroxypyridine With sodium hydroxide In methanol Stage #2: 4-(bromomethyl)-2-fluoropyridine In methanol at 20℃; for 36.17h;

Reference： [1]Location in patent: experimental part Gao, Yongjun; Ravert, Hayden T.; Kuwabara, Hiroto; Xiao, Yingxian; Endres, Christopher J.; Hilton, John; Holt, Daniel P.; Kumar, Anil; Alexander, Mohab; Wong, Dean F.; Dannals, Robert F.; Horti, Andrew G. [Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 13, p. 4367 - 4377]

11
[ 16867-04-2 ]
[ 106-93-4 ]
[ 129421-32-5 ]

Yield	Reaction Conditions	Operation in experiment
5.7%	With potassium carbonate; In N,N-dimethyl-formamide; at 20 - 90℃;	a-1) Preparation of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine2,3-Dihydroxypyridine (2.22 g, 20.0 mmol) was dissolved in N,N'-dimethylformamide (100 mL), and added potassium carbonate (5.52 g, 40.0 mmol) at room temperature. 5 minutes after, 1,2-dibromoethane (2.6 mL, 30.0 mmol) was added at the same temperature, and stirred at 90 C. overnight. The reaction solution was reverted to room temperature, filtered, and the obtained filtrate was concentrated in vacuo. Then, the obtained residue was added ethyl acetate. The suspension was filtered, washed ethyl acetate, and concentrated in vacuo. The title compound (157 mg (yield 5.7%)) was obtained as a colorless oil.1H-NMR (CDCl3) delta: 4.26-4.28 (2H, m), 4.42-4.44 (2H, m), 6.94 (1H, dd, J=5.6, 7.6 Hz), 7.28 (1H, dd, J=1.2, 7.6 Hz), 7.69 (1H, dd, J=1.2, 5.6 Hz).
	With potassium carbonate; In dimethyl sulfoxide; at 100℃; for 10h;Inert atmosphere;	[000788] A mixture of Compound 185A (22.2 g, 200 mmol), 1 ,2-dibromoethane (55.8 g, 300 mmol), and K2C03 (55.2 g, 600 mmol) in DMSO (270 mL) was stirred at 100 C for 10 h under nitrogen protection. Then it was cooled to room temperature and extracted with ethyl acetate (100 mL x 3). The ethyl acetate layers were combined and washed with water (50 mL x 3) and brine (50 mL), dried over sodium sulfate, and concentrated to offer the title Compound 185B.

Reference： [1]Patent: US2010/280013,2010,A1 .Location in patent: Page/Page column 49
[2]Patent: WO2015/42397,2015,A1 .Location in patent: Paragraph 000788

12
[ 16867-04-2 ]
[ 1368345-12-3 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: 1-methyl-pyrrolidin-2-one / 48 h / 120 °C 2: HNO₃ / sulfuric acid / 2 h / 35 - 40 °C 3: hydrazine hydrate monohydrate / Raney nickel / methanol; lithium hydroxide monohydrate / 2 h / 0 °C
	Multi-step reaction with 3 steps 1: potassium carbonate / 1-methyl-pyrrolidin-2-one / 24 h / 80 °C / Inert atmosphere 2: potassium nitrate\|\|KNO₃\|\|NO₃K; sulfuric acid / 2 h / 20 °C 3: hydrazine hydrate monohydrate / methanol / 2 h / 20 °C / Cooling with ice

Reference： [1]Current Patent Assignee: PHARMARESOURCES SHANGHAI CO LTD - WO2012/65062, 2012, A1
[2]Current Patent Assignee: CHENGDU KANGHONG PHARMACEUTICAL; CHENGDU LARGE PHARMACEUTICAL GROUP STOCK LTD - WO2022/121805, 2022, A1

13
[ 16867-04-2 ]
[ 64-67-5 ]
[ 909854-16-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2015,vol. 25,p. 1135 - 1139

14
[ 16867-04-2 ]
[ 95897-49-7 ]

Reference： [1]Patent: WO2015/42397,2015,A1

15
[ 16867-04-2 ]
[ 107-04-0 ]
[ 129421-32-5 ]

Yield	Reaction Conditions	Operation in experiment
6.9 g	With potassium carbonate; sodium iodide; In acetonitrile; at 100℃; for 20h;Inert atmosphere;	A solution of 2,3-dihydroxy pyridine (10.0 g, 0.09 mole) in acetonitrile (200 mL) under N2 at 25 C, was added potassium carbonate (99.4 g, 0.72 mole), 1-bromo 2-chloro ethane (25.7 g, 0.18 mole), sodium iodide (1.3 g, 0.009 mole) and heated to 100 C for 20 hours. Reaction mixture was filtered through celite, and washed with ethyl acetate (50 mL x 2). The filtrate was concentrated under vacuum to obtain the title compound. Yield: 6.9 g; lH - NMR (DMSO- 6, 400 MHz) delta ppm: 4.22- 4.24 (d, 2H), 4.37 - 4.39 (d, 2H), 6.90 - 6.95 (m, 1H), 7.26 - 7.28 (d,J = 0.9,7.8 Hz, 1H), 7.72 - 7.73 (d, J = 1.0, 4.4 Hz, 1H), Mass (m/z): 137.9 (M+H)+.

Reference： [1]Patent: WO2018/42362,2018,A1 .Location in patent: Page/Page column 111

16
[ 16867-04-2 ]
[ 75711-00-1 ]

Reference： [1]Patent: WO2006/112828,2006,A1

17
[ 16867-04-2 ]
[ 75711-01-2 ]

Reference： [1]Patent: WO2006/112828,2006,A1

18
[ 16867-04-2 ]
[ 872355-72-1 ]

Reference： [1]Patent: WO2006/112828,2006,A1

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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

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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. 16867-04-2 ] {[proInfo.proName]}

Quality Control of [ 16867-04-2 ]

Related Doc. of [ 16867-04-2 ]

Product Details of [ 16867-04-2 ]

Calculated chemistry of [ 16867-04-2 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 16867-04-2 ]

Application In Synthesis of [ 16867-04-2 ]

[ 16867-04-2 ] Synthesis Path-Upstream 1~24

[ 16867-04-2 ] Synthesis Path-Downstream 1~18

Related Functional Groups of [ 16867-04-2 ]

Alcohols

Related Parent Nucleus of [ 16867-04-2 ]

Pyridines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 16867-04-2 ]

Related Parent Nucleus of
[ 16867-04-2 ]