CAS 3435-25-4 4-Chloro-6-methylpyrimidine (HCID 581796)

Substructure search Find similar structures

Basic information

CAS: 3435-25-4
Standard SMILES: Cc1cc(Cl)ncn1
InChIKey: MVAXKFAQKTWRAH-UHFFFAOYSA-N
Molecular formula: C5H5ClN2
Average molar mass: 128.56 g/mol
Monoisotopic mass: 128.01412584

Names & identifiers

Preferred name: 4-Chloro-6-methylpyrimidine
IUPAC: 4-chloro-6-methylpyrimidine
English name: 4-Methyl-6-chloro pyrimidine
Molecular formula: C5H5ClN2
Molecular weight: 128.56

Names & synonyms

4-Chloro-6-methylpyrimidine3435-25-4Pyrimidine, 4-chloro-6-methyl-DTXSID20342439RefChem:98496DTXCID80293519685-585-6MVAXKFAQKTWRAH-UHFFFAOYSA-N4-Methyl-6-chloropyrimidine4-Chloro-6-methyl-pyrimidineMFCD023229916-chloro-4-methylpyrimidine

Show more names

AKOS BBS-000021344-Methyl-6-chloro pyrimidine4-Chloro-6-methyl-1,3-diazine4-Chloro-6-methylpyrimidine,97%4-chloro-6-methylpyrimidine(SALTDATA: FREE)4-METHYL-6-CHLORO PYRIMIDINE ISO 9001：2015 REACHPyrimidine, 4-chloro-6-methyl- (6CI,7CI,8CI,9CI)

6-methyl-4-chloropyrimidinSCHEMBL367600AC-8954PS-5600SB20876EN300-53137Z787326738A6050

Database identifiers

CAS: 3435-25-4
PubChem CID: 581796
DTXSID: DTXSID20342439
EC Number: 685-585-6
Nikkaji: J270.678D

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 76.8

Physicochemical properties

Melting point: 151 · 151-152℃
Boiling point: 195 ℃ · 195℃
Density: 1.234 · 1.234
Flash point: 90 ℃ · 90℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Solid
pka: 0.83 · 0.83±0.17(Predicted)
color: Pale yellow
Water Solubility: Slightly soluble in water.
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.