4-Chloro-6-methyl-2-phenylpyrimidine

HCID 598255

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Basic information

CAS: 29509-92-0
Standard SMILES: Cc1cc(Cl)nc(-c2ccccc2)n1
InChIKey: MOLLLUIWZOISLC-UHFFFAOYSA-N
Molecular formula: C11H9ClN2
Average molar mass: 204.65 g/mol
Monoisotopic mass: 204.04542597

Names & identifiers

Preferred name: 4-Chloro-6-methyl-2-phenylpyrimidine
IUPAC: 4-chloro-6-methyl-2-phenylpyrimidine
English name: 4-Chloro-6-methyl-2-phenyl-pyrimidine
Molecular formula: C11H9ClN2
Molecular weight: 204.66

Names & synonyms

4-Chloro-6-methyl-2-phenylpyrimidine29509-92-0DTXSID20344610RefChem:521637DTXCID90295685888-355-54-Chloro-6-methyl-2-phenyl-pyrimidinePyrimidine, 4-chloro-6-methyl-2-phenyl-MFCD002969316-chloro-4-methyl-2-phenylpyrimidineMLS000709115SCHEMBL1772953

Show more names

ASISCHEM A63091TIMTEC-BB SBB0110944-chloro-6-methyl-2-phenylpyrimidine(SALTDATA: FREE)

CHEMBL1347064HMS1677G16HMS2700A084chloro-6-metALBB-0088694chloro-6-methyl-2-phenylpyrimidineBBL013307SBB011094

Database identifiers

CAS: 29509-92-0
PubChem CID: 598255
DTXSID: DTXSID20344610
ChEMBL: CHEMBL1347064
EC Number: 888-355-5
Nikkaji: J46.465A

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 180

Experimental & physicochemical properties

Solubility0.3 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Hazard Codes: Xi
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.