3-Chlorbiphenyl-4-ol

2-Chloro-4-Phenylphenol

HCID 7074

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Grundinformationen

CAS: 92-04-6
Standard-SMILES: Oc1ccc(-c2ccccc2)cc1Cl
InChIKey: BZWMYDJJDBFAPE-UHFFFAOYSA-N
Summenformel: C12H9ClO
Durchschnittliche Molmasse: 204,65 g/mol
Monoisotopische Masse: 204,03419259

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-4-Phenylphenol
IUPAC: 2-chloro-4-phenylphenol
Lokaler Name: 3-Chlorbiphenyl-4-ol
Englischer Name: 2-Chloro-4-phenylphenol
Summenformel: C12H9ClO
Molmasse: 204.65

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,3
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 177

Experimentelle und physikochemische Eigenschaften

PolymersOther Classes -> Halogenated Polyaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionPale yellow solid; [Merck Index]

Collision Cross Section · 2 Einträge

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

146 Å² [M-H]-

Physikochemische Eigenschaften

Schmelzpunkt: 75 °C · 75°C
Siedepunkt: 293.89 °C · 293.89°C (rough estimate)
Dichte: 1.1409 · 1.1409 (rough estimate)
Brechungsindex: 1.599 · 1.5990 (estimate)
storage temp.: 2 · 2-8°C, stored under nitrogen
Aggregatzustand: powder to crystal
Farbe: White to Light yellow to Light red
CAS Datenbank: 92 · 92-04-6(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2-Chloro-4-phenylphenol (92-04-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)