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Product No: AA2031

2-Amino-4-chloropyrimidine, 98%

Name: 2-Amino-4-chloropyrimidine
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

3993-78-0

Molecular Weight

129.55

Formula

C4H4ClN3

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About this item

IUPAC name	4-chloropyrimidin-2-amine
canonical smiles	C1=CN=C(N=C1Cl)N
inchi	InChI=1S/C4H4ClN3/c5-3-1-2-7-4(6)8-3/h1-2H,(H2,6,7,8)
inchi key	DBGFGNCFYUNXLD-UHFFFAOYSA-N
molecular formula	C4H4ClN3
synonyms	2-Amino-4-chloropyrimidine 3993-78-0 4-chloropyrimidin-2-amine 2-pyrimidinamine, 4-chloro- 2-amine-4-chloropyrimidine

Computed Properties

Molecular Weight:	129.55 g/mol
XLogP3:	0.8
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Exact Mass:	129.0093748 g/mol
Monoisotopic Mass:	129.0093748 g/mol
Topological Polar Surface Area:	51.8 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	77.7
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

m-Cresol

3-Chlorophenol

2-Aminopyridine

2-Amino-4-methylpyridine

2-Amino-4,6-dimethylpyrimidine

2,3,5-Trichlorophenol

2-Aminothiazole

2-Amino-2-thiazoline

2-Amino-6-methylpyridine

2-Amino-4-methoxy-6-methyl-1,3,5-triazine

2-Amino-3-methylpyridine

2-Amino-1,3,4-thiadiazole

2-Aminopyrimidine

2,4,5,6-Tetrachloropyrimidine

6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (97.73%) Skin Irrit. 2 (100%) Eye Dam. 1 (97.73%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (97.73%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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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	4-chloropyrimidin-2-amine
canonical smiles	C1=CN=C(N=C1Cl)N
inchi	InChI=1S/C4H4ClN3/c5-3-1-2-7-4(6)8-3/h1-2H,(H2,6,7,8)
inchi key	DBGFGNCFYUNXLD-UHFFFAOYSA-N
molecular formula	C4H4ClN3
synonyms	2-Amino-4-chloropyrimidine 3993-78-0 4-chloropyrimidin-2-amine 2-pyrimidinamine, 4-chloro- 2-amine-4-chloropyrimidine

Computed Properties

Molecular Weight:	129.55 g/mol
XLogP3:	0.8
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Exact Mass:	129.0093748 g/mol
Monoisotopic Mass:	129.0093748 g/mol
Topological Polar Surface Area:	51.8 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	77.7
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

m-Cresol

3-Chlorophenol

2-Aminopyridine

2-Amino-4-methylpyridine

2-Amino-4,6-dimethylpyrimidine

2,3,5-Trichlorophenol

2-Aminothiazole

2-Amino-2-thiazoline

2-Amino-6-methylpyridine

2-Amino-4-methoxy-6-methyl-1,3,5-triazine

2-Amino-3-methylpyridine

2-Amino-1,3,4-thiadiazole

2-Aminopyrimidine

2,4,5,6-Tetrachloropyrimidine

6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (97.73%) Skin Irrit. 2 (100%) Eye Dam. 1 (97.73%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (97.73%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: AA2031

2-Amino-4-chloropyrimidine, 98%

Product No: AA2031

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: AA2031

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?