4-Chloro-2-phenylpyrimidine

HCID 259157

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 14790-42-2
Standard SMILES: Clc1ccnc(-c2ccccc2)n1
InChIKey: RDLQLVAVVVLVEW-UHFFFAOYSA-N
Molecular formula: C10H7ClN2
Average molar mass: 190.63 g/mol
Monoisotopic mass: 190.0297759

Names & identifiers

Preferred name: 4-Chloro-2-phenylpyrimidine
IUPAC: 4-chloro-2-phenylpyrimidine
English name: 4-chloro-2-phenylpyrimidine
Molecular formula: C10H7ClN2
Molecular weight: 190.63

Names & synonyms

4-Chloro-2-phenylpyrimidineDTXSID70293341RefChem:521165DTXCID40244481840-726-214790-42-24-CHLORO-2-PHENYL-PYRIMIDINEPyrimidine, 4-chloro-2-phenyl-MFCD00234601NSC888094-Chloro-2-phenylpyrimidine #NSC-88809

Show more names

NSC 888094-CHLORO-2-PHENYLPYRIMIDI...4-chloro-2-phenylpyrimidine ISO 9001：2015 REACH

DS-15752CS-0045712Z445153102FT-0684913NCIOpen2_001531SCHEMBL533483orb3022670SCHEMBL1673203

Database identifiers

CAS: 14790-42-2
PubChem CID: 259157
DTXSID: DTXSID70293341
EC Number: 840-726-2
Nikkaji: J526.232A

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 157

Physicochemical properties

Melting point: 73 · 73-74℃
Boiling point: 213.2 · 213.2±23.0 °C(Predicted)
Density: 1.245 · 1.245±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: -0.38 · -0.38±0.20(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C10H7ClN2/c11-9-6-7-12-10(13-9)8-4-2-1-3-5-8/h1-7H
InChIKey: RDLQLVAVVVLVEW-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)=NC=CC(Cl)=N1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H335-H315-H319
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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

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