CAS 63012-04-4 (3-Bromophenyl)(phenyl)methanol (HCID 285827)

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Basic information

CAS: 63012-04-4
Standard SMILES: OC(c1ccccc1)c1cccc(Br)c1
InChIKey: QAJARQNJEMLYCX-UHFFFAOYSA-N
Molecular formula: C13H11BrO
Average molar mass: 263.13 g/mol
Monoisotopic mass: 261.99932707

Names & identifiers

Preferred name: (3-Bromophenyl)(phenyl)methanol
IUPAC: (3-bromophenyl)-phenylmethanol
English name: (3-bromophenyl)(phenyl)methanol
Molecular formula: C13H11BrO
Molecular weight: 263.13

Names & synonyms

(3-bromophenyl)(phenyl)methanolRefChem:399999825-095-363012-04-4(3-Bromophenyl)phenylmethanol(3-bromophenyl)-phenylmethanolMFCD004498863-bromobenzhydrolNSC143362SCHEMBL4678(3-bromophenyl)-phenyl-methanolDTXSID10301434

Show more names

Benzenemethanol, 3-bromo-α-phenyl-

(3-Bromo-phenyl)-phenyl-methanolNCA01204AKOS008141454NSC 143362NSC-143362DA-04217NS-04105EN300-69391

Database identifiers

CAS: 63012-04-4
PubChem CID: 285827
DTXSID: DTXSID10301434
EC Number: 825-095-3
Nikkaji: J594.813D

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 189

Physicochemical properties

Melting point: 44 °C · 44 °C
Boiling point: 372.2 · 372.2±27.0 °C(Predicted)
Density: 1.435 · 1.435±0.06 g/cm3(Predicted)
pka: 13.47 · 13.47±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319-H315-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

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: H302-H319-H315-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501