4-Brombenzophenon

4-Bromobenzophenone

HCID 7030CAS 90-90-4

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Grundinformationen

Standard-SMILES: O=C(c1ccccc1)c1ccc(Br)cc1
InChIKey: KEOLYBMGRQYQTN-UHFFFAOYSA-N
Summenformel: C13H9BrO
Durchschnittliche Molmasse: 261,11 g/mol
Monoisotopische Masse: 259,98367701

Namen und Bezeichner

Bevorzugter Name: 4-Bromobenzophenone
IUPAC: (4-bromophenyl)-phenylmethanone
Lokaler Name: 4-Brombenzophenon
Englischer Name: 4-BROMOBENZOPHENONE
Summenformel: C13H9BrO
Molmasse: 261.11

Namen und Synonyme

4-Bromobenzophenone(4-Bromophenyl)(phenyl)methanoneBENZOPHENONE, 4-BROMO-4-Bromophenyl phenyl ketonep-BenzoylbromobenzeneNSC 59863BRN 1910182EINECS 202-024-9DTXSID00753664-07-00-01378 (Beilstein Handbook Reference)pBromobenzophenonepBenzoylbromobenzene

Weitere Namen anzeigen

9-(4-broMophenyl)-9-phenyl-9H-fluoreneUSAF do-3P-BROMOBENZOPHENONE4-bromo-benzophenonLABOTEST-BB LT00053402p-Bromodiphenyl Ketone

Benzophenone, 4bromoRefChem:981794Bromophenyl phenyl ketoneMethanone, (4bromophenyl)phenylDTXCID9048697202-024-9KEOLYBMGRQYQTN-UHFFFAOYSA-N90-90-4

Datenbank-Bezeichner

CAS: 90-90-4
PubChem CID: 7030
DTXSID: DTXSID0075366
UNII: XJ7EB9BC7F
EC Number: 202-024-9
Nikkaji: J42.004B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,1
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 213

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Benzophenones

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionWhite odorless powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 79 · 79-84 °C(lit.)
Siedepunkt: 350 °C · 350 °C(lit.)
Dichte: 1.4245 · 1.4245 (rough estimate)
Brechungsindex: 1.513 · 1.5130 (estimate)
Flammpunkt: 350 °C · 350°C
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Crystalline Powder
Farbe: White to light beige
Wasserlöslichkeit: Insoluble in water but slightly soluble in other solvents such as ethanol, ether and benzene.
BRN: 1910182 · 1910182
InChI: InChI=1S/C13H9BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
InChIKey: KEOLYBMGRQYQTN-UHFFFAOYSA-N
SMILES: C(C1=CC=C(Br)C=C1)(C1=CC=CC=C1)=O
CAS Datenbank: 90 · 90-90-4(CAS DataBase Reference)
EPA chemische Informationen: 4 · 4-Bromobenzophenone (90-90-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryIntraperitoneal LD50 (mouse) = 100 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Benzophenone.

Hazard Classes and CategoriesSkin Irrit. 2 (20%)

Sicherheitsdaten

wgk: 3
hs_code: 29147000
RTECS-Nr.: DJ0350000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden4-Bromobenzophenone is used in analytical applications such as HPLC and GC. It is also used as a chemical reagent and pharmaceutical intermediate.