4'-Chloro-4-biphenylol

HCID 91589

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Basic information

CAS: 28034-99-3
Standard SMILES: Oc1ccc(-c2ccc(Cl)cc2)cc1
InChIKey: ICVFJPSNAUMFCW-UHFFFAOYSA-N
Molecular formula: C12H9ClO
Average molar mass: 204.65 g/mol
Monoisotopic mass: 204.03419259

Overview

4-Chloro-4'-biphenylol is a member of biphenyls and a member of monochlorobenzenes.

Names & identifiers

Preferred name: 4'-Chloro-4-biphenylol
IUPAC: 4-(4-chlorophenyl)phenol
English name: 4-Chloro-4'-hydroxybiphenyl
Molecular formula: C12H9ClO
Molecular weight: 204.65

Names & synonyms

4-Chloro-4'-hydroxybiphenyl28034-99-34-Chloro-4'-biphenylol4'-Chloro-4-biphenylol(1,1'-Biphenyl)-4-ol, 4'-chloro-[1,1'-Biphenyl]-4-ol, 4'-chloro-IN91367N9RDTXSID5022354RefChem:514107DTXCID902354679-628-84-(4-Chlorophenyl)phenol

Show more names

AKOS BAR-1044Chlorohydroxybiphenyl4-CHLOROBIPHENYL-4-OL4'-chloro-4-biphenylphenol4-Hydroxy-4'-chlorobiphenyl

4'-Chloro-[1,1'-biphenyl]-4-ol4'-chlorobiphenyl-4-ol4'-chloro-biphenyl-4-ol4-Chloro-4-hydroxybiphenyl4-Biphenylol, 4'-chloro-MFCD001432984'-Chloro[1,1'-biphenyl]-4-ol4'-chloro-4-hydroxybiphenyl

Database identifiers

CAS: 28034-99-3
PubChem CID: 91589
DTXSID: DTXSID5022354
ChEBI: CHEBI:34394
UNII: IN91367N9R
EC Number: 679-628-8
Nikkaji: J45.197E

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 167

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP4.04

Endocrine DisruptorsPotential endocrine disrupting compound

Collision Cross Section147.8 Å² [M-H]-

Physicochemical properties

Melting point: 146 °C · 146°C
Boiling point: 335 · 335.0±17.0 °C(Predicted)
Density: 1.239 · 1.239±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer, Under inert atmosphere
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 9.61 · 9.61±0.26(Predicted)
color: White to Off-White
FDA UNII: 91367 N9R · IN91367N9R
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Risk Statements: 36 · 36/37/38
Safety Statements: 36 · 36/37/39
HS Code: 2908.19 · 2908.19.6000

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (80%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 5 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 CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2908.19.6000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 36/37/39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313