4-Pyrimidinamine, 2-chloro-N,N-dimethyl-

HCID 95975CAS 31058-81-8

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Basic information

Standard SMILES: CN(C)c1ccnc(Cl)n1
InChIKey: MTEQLYDOCFPCAX-UHFFFAOYSA-N
Molecular formula: C6H8ClN3
Average molar mass: 157.604 g/mol
Monoisotopic mass: 157.04067494

Names & identifiers

Preferred name: 4-Pyrimidinamine, 2-chloro-N,N-dimethyl-
IUPAC: 2-Chloro-N,N-dimethylpyrimidin-4-amine
English name: 2-Chloro-4-(N,N-dimethylamino)pyrimidine
Molecular formula: C6H8ClN3
Molecular weight: 157.6

Names & synonyms

NSC 45769Benzoicacid,9-methoxy-,hydrazide2-CHLORO-4-DIMETHYLAMINOPYRIMIDINE3-Isoxazolecarboxaldehyde,7-methyl-2-chloro-4-(dimethylamino)-pyrimidin2-chloro-n,n-dimethyl-4-pyrimidinamine(2-chloro-pyrimidin-4-yl)-dimethyl-amine4-Pyrimidinamine, 2-chloro-N,N-dimethyl-2-Chloro-4-(N,N-dimethylamino)pyrimidine2-chloro-N,N-dimethylpyrimidin-4-amine31058-81-8

Database identifiers

CAS: 31058-81-8
PubChem CID: 95975
DTXSID: DTXSID6067593
UNII: T2FQA7HF8L
EC Number: 250-450-9
Nikkaji: J287.437G

Properties

Physicochemical properties

Melting point: 77 · 77-79°C
Boiling point: 284 ℃ · 284℃
Density: 1.252 · 1.252
Flash point: 125 ℃ · 125℃
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: Chloroform, Ethyl Acetate, Methanol
form: Solid
pka: 3.59 · 3.59±0.10(Predicted)
color: White
FDA UNII: 2 FQA7HF8L · T2FQA7HF8L
EPA Substance Registry System: 4 · 4-Pyrimidinamine, 2-chloro-N,N-dimethyl- (31058-81-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-43
Safety Statements: 36 · 36/37
TSCA: TSCA listed
HS Code: 2933599590 · 2933599590