4-(Brommethyl)benzophenon

4-(Bromomethyl)benzophenone

HCID 122951CAS 32752-54-8

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Grundinformationen

Standard-SMILES: O=C(c1ccccc1)c1ccc(CBr)cc1
InChIKey: RYULULVJWLRDQH-UHFFFAOYSA-N
Summenformel: C14H11BrO
Durchschnittliche Molmasse: 275,14 g/mol
Monoisotopische Masse: 273,99932707

Namen und Bezeichner

Bevorzugter Name: 4-(Bromomethyl)benzophenone
IUPAC: [4-(bromomethyl)phenyl]-phenylmethanone
Lokaler Name: 4-(Brommethyl)benzophenon
Englischer Name: 4-(Bromomethyl)benzophenone
Summenformel: C14H11BrO
Molmasse: 275.14

Namen und Synonyme

4-(Bromomethyl)benzophenone32752-54-84-benzoylbenzyl bromideA23H9ZH86ZMethanone, [4-(bromomethyl)phenyl]phenyl-EINECS 251-197-7Methanone, (4-(bromomethyl)phenyl)phenyl-P-BENZOYLBENZYL BROMIDEP-BROMOMETHYLBENZOPHENONEDTXSID50186424(4-(BROMOMETHYL)PHENYL)PHENYLMETHANONERefChem:97376

Weitere Namen anzeigen

AKOS BC-3029IFLAB-BB F1415-0009TIMTEC-BB SBB0010964-(bromethyl)dibenzenemethylone4-(Bromomethyl)benzophenone >[4-(Bromomethyl)phenyl]phenylmethanone4-(Bromomethyl)benzophenone, 97%, for synthesis

DTXCID60108915251-197-7(4-(Bromomethyl)phenyl)(phenyl)methanone[4-(Bromomethyl)phenyl](phenyl)methanone4-Bromomethylbenzophenone[4-(bromomethyl)phenyl]-phenylmethanoneMFCD00092076alpha-bromo-p-benzoyl toluene

Datenbank-Bezeichner

CAS: 32752-54-8
PubChem CID: 122951
DTXSID: DTXSID50186424
UNII: A23H9ZH86Z
EC Number: 251-197-7
Nikkaji: J319.426D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 225

Physikochemische Eigenschaften

Schmelzpunkt: 109 · 109-112 °C (lit.)
Siedepunkt: 376.4 · 376.4±25.0 °C(Predicted)
Dichte: 1.396 · 1.396±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: powder to crystal
Farbe: Light orange to Yellow to Green
InChI: InChI=1S/C14H11BrO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H,10H2
InChIKey: RYULULVJWLRDQH-UHFFFAOYSA-N
SMILES: C(C1=CC=C(CBr)C=C1)(C1=CC=CC=C1)=O
CAS Datenbank: 32752 · 32752-54-8(CAS DataBase Reference)

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.