3-Brombenzophenon

3-Bromobenzophenone

HCID 70548CAS 1016-77-9

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=C(c1ccccc1)c1cccc(Br)c1
InChIKey: XNUMUNIJQMSNNN-UHFFFAOYSA-N
Summenformel: C13H9BrO
Durchschnittliche Molmasse: 261,11 g/mol
Monoisotopische Masse: 259,98368

Namen und Bezeichner

Bevorzugter Name: 3-Bromobenzophenone
IUPAC: (3-bromophenyl)-phenylmethanone
Lokaler Name: 3-Brombenzophenon
Englischer Name: 3-Bromobenzophenone
Summenformel: C13H9BrO
Molmasse: 261.11

Namen und Synonyme

3-Bromobenzophenone1016-77-9EINECS 213-808-5DTXSID10144045RefChem:93238DTXCID5066536213-808-5(3-bromophenyl)(phenyl)methanone(3-bromophenyl)-phenylmethanoneMethanone, (3-bromophenyl)phenyl-MFCD00672015(3-bromophenyl)-phenyl-methanone

Weitere Namen anzeigen

BromoBenzophenone,m-3-BromobenzoylbenzeneSALOR-INT L169765-1EA3-Bromobenzophenone 98%3-BroMbenzophenone, 97%3-Bromobenzophenone,97%3-bromodibenzenemethylone3-Bromophenylphenyl ketone

SCHEMBL40538Phenyl(3-bromophenyl) ketoneCS-0156563EN300-250756Z385416902m-bromobenzophenone(3-bromophenyl)phenylmethanoneAMY6637

Datenbank-Bezeichner

CAS: 1016-77-9
PubChem CID: 70548
DTXSID: DTXSID10144045
EC Number: 213-808-5
Nikkaji: J217.141D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 221

Physikochemische Eigenschaften

Schmelzpunkt: 74.5 · 74.5-77.5 °C(lit.)
Siedepunkt: 347.5 °C · 347.5°C (rough estimate)
Dichte: 1.4245 · 1.4245 (rough estimate)
Brechungsindex: 1.513 · 1.5130 (estimate)
storage temp.: Inert atmosphere,Room Temperature
InChI: InChI=1S/C13H9BrO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H
InChIKey: XNUMUNIJQMSNNN-UHFFFAOYSA-N
SMILES: C(C1=CC=CC(Br)=C1)(C1=CC=CC=C1)=O
CAS Datenbank: 1016 · 1016-77-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-37/39-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden3-Bromobenzophenone reacts with diphenylmethane to yield the bromo-TPE intermediate mTPE-Br, which serves as a building block for tetraphenylethylene-based derivatives[2].