1,1'-Biphenyl, 4-(bromomethyl)-

HCID 257716

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Grundinformationen

CAS: 2567-29-5
Standard-SMILES: BrCc1ccc(-c2ccccc2)cc1
InChIKey: HZQLUIZFUXNFHK-UHFFFAOYSA-N
Summenformel: C13H11Br
Durchschnittliche Molmasse: 247,13 g/mol
Monoisotopische Masse: 246,00441245

Namen und Bezeichner

Bevorzugter Name: 1,1'-Biphenyl, 4-(bromomethyl)-
IUPAC: 1-(bromomethyl)-4-phenylbenzene
Englischer Name: 4-Bromomethylbiphenyl
Summenformel: C13H11Br
Molmasse: 247.13

Namen und Synonyme

1,1'-Biphenyl, 4-(bromomethyl)-RefChem:409191663-894-72567-29-54-Bromomethylbiphenyl4-(bromomethyl)biphenyl4-(BROMOMETHYL)-1,1'-BIPHENYL1-(bromomethyl)-4-phenylbenzene4-Phenylbenzyl Bromide4-(Bromomethyl)-biphenyl4-BiphenylmethylbromideBromoethylbiphenyl

Weitere Namen anzeigen

NSC 861434-bromethylbiphenyl4-BromoethylbiphenylBromoethylbiphenyl 98%

MFCD000178694-bromomethyl-biphenylp-phenylbenzyl bromide4-BIPHENYLYLMETHYL BROMIDENSC861434-phenylbenzylbromide4-biphenylmethyl bromide4-phenyl benzyl bromide

Datenbank-Bezeichner

CAS: 2567-29-5
PubChem CID: 257716
DTXSID: DTXSID40292866
EC Number: 663-894-7
Nikkaji: J856.762J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,8
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: 83 · 83-86 °C
Siedepunkt: 140 °C · 140 °C / 10mmHg
Dichte: 1.341 · 1.341±0.06 g/cm3(Predicted)
Flammpunkt: 110 ℃ · >110℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Methanol
Aggregatzustand: Powder
Farbe: Pale yellow to beige
InChI: InChI=1S/C13H11Br/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2
InChIKey: HZQLUIZFUXNFHK-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)=CC=C(CBr)C=C1
CAS Datenbank: 2567 · 2567-29-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information1,1'-Biphenyl, 4-(bromomethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (95.2%)

Sicherheitsdaten

ridadr: 3261
hs_code: 29029090
risk_code: 36/37/38-34
hazard_code: Xi
safety_code: 37/39-26-45-36/37/39
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-(Bromomethyl)biphenyl is a biphenyl derivative used in the preparation of various pharmaceutical compounds such as protein tyrosine phosphatase 1B inhibitors. 4-(Bromomethyl)biphenyl is useful as as atom transfer radical polymerization initiator.