CAS 954236-31-8 2-Chloro-4-(2-methoxyphenyl)pyrimidine (HCID 24901882)

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Basic information

CAS: 954236-31-8
Standard SMILES: COc1ccccc1-c1ccnc(Cl)n1
InChIKey: IZZPOWGOQQEMLG-UHFFFAOYSA-N
Molecular formula: C11H9ClN2O
Average molar mass: 220.65 g/mol

Names & identifiers

Preferred name: 2-Chloro-4-(2-methoxyphenyl)pyrimidine
IUPAC: 2-chloro-4-(2-methoxyphenyl)pyrimidine
English name: 2-Chloro-4-(2-methoxy-phenyl)-pyrimidine
Molecular formula: C11H9ClN2O
Molecular weight: 220.65

Names & synonyms

2-chloro-4-(2-methoxyphenyl)pyrimidine954236-31-8RefChem:468840846-399-22-Chloro-4-(2-methoxy-phenyl)-pyrimidineMFCD09861468SCHEMBL2983938SCHEMBL31505996IZZPOWGOQQEMLG-UHFFFAOYSA-NAKOS0159474152-chloro-4-(o-methoxyphenyl)pyrimidineCS-36921

Show more names

Pyrimidine, 2-chloro-4-(2-methoxyphenyl)-

SY210478CS-0242988EN300-257594G30737Z1302516617

Database identifiers

CAS: 954236-31-8
PubChem CID: 24901882
EC Number: 846-399-2

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 35 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 203

Physicochemical properties

Boiling point: 361.2 · 361.2±17.0 °C(Predicted)
Density: 1.245 · 1.245±0.06 g/cm3(Predicted)
pka: -1.4 · -1.40±0.31(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H302-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H302-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P