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Product No: AA6654

2-Chloropyrimidine, 98%

Name: 2-Chloropyrimidine
Brand: Chempure

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CAS Number

1722-12-9

Molecular Weight

114.53

Formula

C4H3ClN2

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About this item

IUPAC name	2-chloropyrimidine
canonical smiles	C1=CN=C(N=C1)Cl
inchi	InChI=1S/C4H3ClN2/c5-4-6-2-1-3-7-4/h1-3H
inchi key	UNCQVRBWJWWJBF-UHFFFAOYSA-N
molecular formula	C4H3ClN2
synonyms	2-Chloropyrimidine 1722-12-9 2-chloro-pyrimidine PYRIMIDINE, 2-CHLORO- chloropyrimidine

Computed Properties

Molecular Weight:	114.53 g/mol
XLogP3:	0.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	113.9984758 g/mol
Monoisotopic Mass:	113.9984758 g/mol
Topological Polar Surface Area:	25.8 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	51.7
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

Pyridine

Furan

2-Methylpyridine

Tetrahydrofuran

2,5-Dimethylfuran

2,6-Dimethylpyridine

Thiazole

2-Methylfuran

4-Methylthiazole

1-Methylpyrrole

Furfuryl mercaptan

1-Methylpyrrolidine

Pyrimidine

2-Methyl-3-furanthiol

2,4-Dimethylpyridine

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (87.27%) Skin Irrit. 2 (12.73%) Skin Sens. 1 (16.36%) Eye Irrit. 2 (90.91%) STOT SE 3 (12.73%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (87.27%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (12.73%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (16.36%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (90.91%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (12.73%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	A skin, respiratory tract, and severe eye irritant. Toxic by ingestion. Oral LD50 (rat) = 200-2,000 mg/kg.

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	2-chloropyrimidine
canonical smiles	C1=CN=C(N=C1)Cl
inchi	InChI=1S/C4H3ClN2/c5-4-6-2-1-3-7-4/h1-3H
inchi key	UNCQVRBWJWWJBF-UHFFFAOYSA-N
molecular formula	C4H3ClN2
synonyms	2-Chloropyrimidine 1722-12-9 2-chloro-pyrimidine PYRIMIDINE, 2-CHLORO- chloropyrimidine

Computed Properties

Molecular Weight:	114.53 g/mol
XLogP3:	0.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	113.9984758 g/mol
Monoisotopic Mass:	113.9984758 g/mol
Topological Polar Surface Area:	25.8 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	51.7
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

Pyridine

Furan

2-Methylpyridine

Tetrahydrofuran

2,5-Dimethylfuran

2,6-Dimethylpyridine

Thiazole

2-Methylfuran

4-Methylthiazole

1-Methylpyrrole

Furfuryl mercaptan

1-Methylpyrrolidine

Pyrimidine

2-Methyl-3-furanthiol

2,4-Dimethylpyridine

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (87.27%) Skin Irrit. 2 (12.73%) Skin Sens. 1 (16.36%) Eye Irrit. 2 (90.91%) STOT SE 3 (12.73%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (87.27%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (12.73%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (16.36%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (90.91%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (12.73%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	A skin, respiratory tract, and severe eye irritant. Toxic by ingestion. Oral LD50 (rat) = 200-2,000 mg/kg.

Product No: AA6654

2-Chloropyrimidine, 98%

Product No: AA6654

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA6654

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?