4,4'-Dichlorbenzophenon

3,4-Dichlorobenzophenone

HCID 80494CAS 6284-79-3

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Grundinformationen

Standard-SMILES: O=C(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIKey: LLUPHTAYNHAVQT-UHFFFAOYSA-N
Summenformel: C13H8Cl2O
Durchschnittliche Molmasse: 251,1 g/mol
Monoisotopische Masse: 249,9952203

Namen und Bezeichner

Bevorzugter Name: 3,4-Dichlorobenzophenone
IUPAC: (3,4-dichlorophenyl)-phenylmethanone
Lokaler Name: 4,4'-Dichlorbenzophenon
Englischer Name: 3,4-Dichlorobenzophenone
Summenformel: C13H8Cl2O
Molmasse: 251.11

Namen und Synonyme

3,4-Dichlorobenzophenone6284-79-3NSC-5249A8X2V9A7UWDTXSID90212014RefChem:91026DTXCID90134505228-509-5(3,4-Dichlorophenyl)(phenyl)methanoneMethanone, (3,4-dichlorophenyl)phenyl-Benzophenone, 3,4-dichloro-(3,4-dichlorophenyl)-phenylmethanone

Weitere Namen anzeigen

LABOTEST-BB LT004555253,4-Dichlorobenzophenone99%3,4-DiChlororobenzo phenone3,4-Dichlorobenzophenone>3,4-Dichlorobenzophenone,98%3,4-Dichlorobenzophenone 99%Phenyl 3,4-dichlorophenyl ketone(3,4-Dichlorophenyl)phenyl-methanone

3,4-Dichlorophenyl phenyl ketoneNSC5249EINECS 228-509-5MFCD00000552SCHEMBL333237AKOS009156379PS-11162D3574

Datenbank-Bezeichner

CAS: 6284-79-3
PubChem CID: 80494
DTXSID: DTXSID90212014
UNII: A8X2V9A7UW
EC Number: 228-509-5
Nikkaji: J81.176I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,7
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 248

Physikochemische Eigenschaften

Schmelzpunkt: 100 · 100-103 °C
Siedepunkt: 356.37 °C · 356.37°C (rough estimate)
Dichte: 1.2472 · 1.2472 (rough estimate)
Brechungsindex: 1.5555 · 1.5555 (estimate)
storage temp.: 2 · 2-8°C
Aggregatzustand: powder to crystal
Farbe: White to Light yellow to Light orange
BRN: 2105069 · 2105069
InChI: InChI=1S/C13H8Cl2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H
InChIKey: LLUPHTAYNHAVQT-UHFFFAOYSA-N
SMILES: C(C1=CC=C(Cl)C(Cl)=C1)(C1=CC=CC=C1)=O
CAS Datenbank: 6284 · 6284-79-3(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 5 reports by companies from 2 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.