4-((5-Bromo-2-chlorophenyl)methyl)phenol

HCID 57423751

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Basic information

CAS: 864070-18-8
Standard SMILES: Oc1ccc(Cc2cc(Br)ccc2Cl)cc1
InChIKey: CSQCYSDEAYXXTN-UHFFFAOYSA-N
Molecular formula: C13H10BrClO
Average molar mass: 297.57 g/mol
Monoisotopic mass: 295.96035472

Names & identifiers

Preferred name: 4-((5-Bromo-2-chlorophenyl)methyl)phenol
IUPAC: 4-[(5-bromo-2-chlorophenyl)methyl]phenol
English name: 4-(5-broMo-2-chlorobenzyl)phenol
Molecular formula: C13H10BrClO
Molecular weight: 297.57

Names & synonyms

864070-18-84-[(5-BROMO-2-CHLOROPHENYL)METHYL]PHENOL3G63F9YG2WDTXSID407263384-((5-Bromo-2-chlorophenyl)methyl)phenolRefChem:1069662DTXCID906770834-(5-Bromo-2-chlorobenzyl)phenolPhenol, 4-[(5-bromo-2-chlorophenyl)methyl]-MFCD194411454-[(5-bromo-2-chloro-phenyl)methyl]phenolSCHEMBL17842

Show more names

Dapagliflozin Impurity 394-(2-Chlorobenzoyl)phenol4-[(5-bromo-2-chlorophenyl)methyl]-Phenol4-(5-Bromo-2-chlorobenzyl)phenol (Dapagliflozin Impurity)4-(5-Bromo-2-chlorobenzyl)phenolQ: What is 4-(5-Bromo-2-chlorobenzyl)phenol Q: What is the CAS Number of 4-(5-Bromo-2-chlorobenzyl)phenol Q: What is the storage condition of 4-(5-Bromo-2-chlorobenzyl)phenol Q: What are the applications of 4-(5-Bromo-2-chlorobenzyl)phenol

SCHEMBL29816996CSQCYSDEAYXXTN-UHFFFAOYSA-N4- (5-Bromo chlorobenzyl) phenol4-5-Bromo-2-ChIorobenzyI Phenol4-(5-bromo-2-chloro-benzyl)-phenolAKOS016008069FB76123SB17546

Database identifiers

CAS: 864070-18-8
PubChem CID: 57423751
DTXSID: DTXSID40726338
UNII: 3G63F9YG2W

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 216

Physicochemical properties

Boiling point: 401.3 · 401.3±35.0 °C(Predicted)
Density: 1.522 · 1.522±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 10.14 · 10.14±0.15(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C13H10BrClO/c14-11-3-6-13(15)10(8-11)7-9-1-4-12(16)5-2-9/h1-6,8,16H,7H2
InChIKey: CSQCYSDEAYXXTN-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(CC2=CC(Br)=CC=C2Cl)C=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338