4-(Chlormethyl)biphenyl

4-Phenylbenzyl chloride

HCID 15463CAS 1667-11-4

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Grundinformationen

Standard-SMILES: ClCc1ccc(-c2ccccc2)cc1
InChIKey: HLQZCRVEEQKNMS-UHFFFAOYSA-N
Summenformel: C13H11Cl
Durchschnittliche Molmasse: 202,68 g/mol
Monoisotopische Masse: 202,05492803

Überblick

structure given in first source

Namen und Bezeichner

Bevorzugter Name: 4-Phenylbenzyl chloride
IUPAC: 1-(chloromethyl)-4-phenylbenzene
Lokaler Name: 4-(Chlormethyl)biphenyl
Englischer Name: 4-(Chloromethyl)biphenyl
Summenformel: C13H11Cl
Molmasse: 202.68

Namen und Synonyme

4-(Chloromethyl)biphenyl1667-11-44-Chloromethylbiphenyl4-Phenylbenzyl chloride3F1186UU0MNSC-16277RefChem:522002216-786-54-(Chloromethyl)-1,1'-biphenyl1,1'-Biphenyl, 4-(chloromethyl)-4-BIPHENYLMETHYL CHLORIDE1-(chloromethyl)-4-phenylbenzene

Weitere Namen anzeigen

4-Chloromethylbiphenp-phenylbenzylchloride

p-Phenylbenzyl chloride4-CmbBIPHENYL, 4-(CHLOROMETHYL)-MFCD00000917NSC 162774CMB4-(Chloromethyl)-1'-biphenyl4-(chloromethyl)-bipheny

Datenbank-Bezeichner

CAS: 1667-11-4
PubChem CID: 15463
DTXSID: DTXSID6075190
UNII: 3F1186UU0M
EC Number: 216-786-5
Nikkaji: J142B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,7
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 153

Physikochemische Eigenschaften

Schmelzpunkt: 70 · 70-73 °C (lit.)
Siedepunkt: 321.03 °C · 321.03°C (rough estimate)
Dichte: 1.1339 · 1.1339 (estimate)
Brechungsindex: 1.5945 · 1.5945 (estimate)
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: solid
Farbe: White
BRN: 1863327 · 1863327
InChI: InChI=1S/C13H11Cl/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2
InChIKey: HLQZCRVEEQKNMS-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)=CC=C(CCl)C=C1
CAS Datenbank: 1667 · 1667-11-4(CAS DataBase Reference)
NIST chemische Informationen: 4 · Biphenyl, 4-(chloromethyl)-,(1667-11-4)
EPA chemische Informationen: 1 · 1,1'-Biphenyl, 4-(chloromethyl)- (1667-11-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 21
wgk: 3
hs_code: 2903998090
RTECS-Nr.: DV2087000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.

Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.

Anwendungen · 1 Eintrag

Verwenden4-(Chloromethyl)biphenyl is an important biphenyl derivative, which has a wide range of applications in medicine, polymer liquid crystal and dyestuff. For example, it can be used to synthesize the non-steroidal anti-inflammatory drugs 4-biphenylacetic acid and fenbufen, and the anti-inflammatory and analgesic drug felbinacethyl.