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Product No: CK1646

3-chloropyridine, 95%

Name: 3-chloropyridine
Brand: Chempure

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CAS Number

626-60-8

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IUPAC name	3-chloropyridine
canonical smiles	C1=CC(=CN=C1)Cl
inchi	InChI=1S/C5H4ClN/c6-5-2-1-3-7-4-5/h1-4H
inchi key	PWRBCZZQRRPXAB-UHFFFAOYSA-N
molecular formula	C5H4ClN
synonyms	3-CHLOROPYRIDINE 626-60-8 Pyridine, 3-chloro- m-Chloropyridine 3-pyridinyl chloride

Computed Properties

Molecular Weight:	113.54 g/mol
XLogP3:	1.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	113.0032268 g/mol
Monoisotopic Mass:	113.0032268 g/mol
Topological Polar Surface Area:	12.9 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	56
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Toluene

Pyridine

Chlorobenzene

beta-PICOLINE

2,3,5,6-Tetramethylpyrazine

5-Chloro-2-methyl-4-isothiazolin-3-one

Limonene, (-)-

N-Nitrosopyrrolidine

2-Methylpyridine

Cyclohexene oxide

3-Acetylpyridine

Benzenethiol

Methylcyclohexane

N-Nitrosopiperidine

Fomepizole

hazard signal	Warning
hazard classes and categories	Flam. Liq. 3 (12.24%) Acute Tox. 4 (91.84%) Acute Tox. 4 (83.67%) Skin Irrit. 2 (14.29%)
precautionary statement codes	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P332+P317, P362+P364, P370+P378, P403+P235, and P501
hazard statements	H226 (12.24%): Flammable liquid and vapor [Warning Flammable liquids] H302 (91.84%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (83.67%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (14.29%): Causes skin irritation [Warning Skin corrosion/irritation] H332 (83.67%): Harmful if inhaled [Warning Acute toxicity, inhalation]
hazards summary	Causes somnolence and fatty liver degeneration in intraperitoneal lethal-dose studies of mice (LD50 = 235 mg/kg). An irritant. Harmful by ingestion, inhalation, and skin absorption. See 2-Chloropyridine.

toxicity summary

IDENTIFICATION AND USE: 3-Chloropyridine is a clear liquid. It is used as a laboratory chemical. HUMAN STUDIES: There are no data available. ANIMAL STUDIES: 3-Chloropyridine showed a dose-dependent cytotoxicity and clastogenicity towards V3 cells. The L5178Y mouse lymphoma assay was used to examine the potential mutagenicity of 3-chloropyridine. Without activation, 3-chloropyridine produced a small increase in mutant frequency. It was also clastogenic as demonstrated by increases in chromosome aberrations and micronuclei.

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Documentation

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About this item

IUPAC name	3-chloropyridine
canonical smiles	C1=CC(=CN=C1)Cl
inchi	InChI=1S/C5H4ClN/c6-5-2-1-3-7-4-5/h1-4H
inchi key	PWRBCZZQRRPXAB-UHFFFAOYSA-N
molecular formula	C5H4ClN
synonyms	3-CHLOROPYRIDINE 626-60-8 Pyridine, 3-chloro- m-Chloropyridine 3-pyridinyl chloride

Computed Properties

Molecular Weight:	113.54 g/mol
XLogP3:	1.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	113.0032268 g/mol
Monoisotopic Mass:	113.0032268 g/mol
Topological Polar Surface Area:	12.9 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	56
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Toluene

Pyridine

Chlorobenzene

beta-PICOLINE

2,3,5,6-Tetramethylpyrazine

5-Chloro-2-methyl-4-isothiazolin-3-one

Limonene, (-)-

N-Nitrosopyrrolidine

2-Methylpyridine

Cyclohexene oxide

3-Acetylpyridine

Benzenethiol

Methylcyclohexane

N-Nitrosopiperidine

Fomepizole

hazard signal	Warning
hazard classes and categories	Flam. Liq. 3 (12.24%) Acute Tox. 4 (91.84%) Acute Tox. 4 (83.67%) Skin Irrit. 2 (14.29%)
precautionary statement codes	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P332+P317, P362+P364, P370+P378, P403+P235, and P501
hazard statements	H226 (12.24%): Flammable liquid and vapor [Warning Flammable liquids] H302 (91.84%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (83.67%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (14.29%): Causes skin irritation [Warning Skin corrosion/irritation] H332 (83.67%): Harmful if inhaled [Warning Acute toxicity, inhalation]
hazards summary	Causes somnolence and fatty liver degeneration in intraperitoneal lethal-dose studies of mice (LD50 = 235 mg/kg). An irritant. Harmful by ingestion, inhalation, and skin absorption. See 2-Chloropyridine.

toxicity summary

symptoms

Product No: CK1646

3-chloropyridine, 95%

Product No: CK1646

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

TOXICITY

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CK1646

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

TOXICITY

Require a Sample Certificate of Analysis (COA) ?