2-Chloro-4-Phenylphenol

HCID 7074

Notes Reactions

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Basic information

CAS: 92-04-6
Standard SMILES: Oc1ccc(-c2ccccc2)cc1Cl
InChIKey: BZWMYDJJDBFAPE-UHFFFAOYSA-N
Molecular formula: C12H9ClO
Average molar mass: 204.65 g/mol
Monoisotopic mass: 204.03419259

Names & identifiers

Preferred name: 2-Chloro-4-Phenylphenol
IUPAC: 2-chloro-4-phenylphenol
English name: 2-Chloro-4-phenylphenol
Molecular formula: C12H9ClO
Molecular weight: 204.65

Names & synonyms

2-CHLORO-4-PHENYLPHENOL92-04-64-Phenyl-2-chlorophenolDowicide 4o-Chloro-p-phenylphenol[1,1'-Biphenyl]-4-ol, 3-chloro-(1,1'-Biphenyl)-4-ol, 3-chloro-229K1W6JFYNSC-3858NSC3858RefChem:469098202-120-0

Show more names

dowicide43-chloro-4-biphenylo4-BIPHENYLOL,3-CHLORO-2-chloro-4-phenyl-pheno

Sanidril3-Chloro-4-biphenylol3-Chlorobiphenyl-4-ol3-Chloro-4-hydroxybiphenyl2-Chloro-p-phenylphenol3-Chloro-4-hydroxydiphenylPhenol, 2-chloro-4-phenyl-3-Chlor-4-hydroxybifenyl

Database identifiers

CAS: 92-04-6
PubChem CID: 7074
DTXSID: DTXSID0022353
ChEMBL: CHEMBL406630
UNII: 229K1W6JFY
EC Number: 202-120-0
Nikkaji: J4.647G

Properties

Computed structural properties

XLogP: 4.3
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: 177

Experimental & physicochemical properties

PolymersOther Classes -> Halogenated Polyaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionPale yellow solid; [Merck Index]

Collision Cross Section · 2 items

143.8 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0022353]

146 Å² [M-H]-

Physicochemical properties

Melting point: 75 °C · 75°C
Boiling point: 293.89 °C · 293.89°C (rough estimate)
Density: 1.1409 · 1.1409 (rough estimate)
refractive index: 1.599 · 1.5990 (estimate)
storage temp.: 2 · 2-8°C, stored under nitrogen
form: powder to crystal
color: White to Light yellow to Light red
CAS DataBase Reference: 92 · 92-04-6(CAS DataBase Reference)
FDA UNII: 229 K1W6JFY · 229K1W6JFY
EPA Substance Registry System: 2 · 2-Chloro-4-phenylphenol (92-04-6)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 318 · H318
Precautionary statements: 280 · P280-P305+P351+P338+P310
Risk Statements: 22 · 22-36/38
Safety Statements: 26 · 26-37/39
RTECS: 6650000 · DV6650000
TSCA: TSCA listed
HS Code: 2908.19 · 2908.19.6000

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.

[1,1'-Biphenyl]-4-ol, 3-chloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryA mild skin and severe eye irritant; [RTECS] An irritant that may cause serious eye injury; [Aldrich MSDS] See o-Phenylphenol.

Hazard Classes and CategoriesEye Dam. 1 (100%)