HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke

HCID 569908Erstellt: 27. Oktober 2026

3,4-Difluorobenzophenone

3,4-DIFLUOROBENZOPHENONE · 3,4-Difluorobenzophenone98% · 3,4-Difluorobenzophenone>(3,4-Difluorophenyl)phenylmethanone · Methanone, (3,4-difluorophenyl)phenyl- · (3,4-Difluorophenyl)(phenyl)methanone - [D89255]

https://huagongshe.com/de/chemical/569908

Molekülstruktur von 3,4-Difluorobenzophenone

Identifikatoren & physikalische Daten

CAS No.	85118-07-6
Summenformel	C13H8F2O
Durchschnittliche Molmasse	218,2 g/mol
Monoisotopische Masse	218,05432132 g/mol
SMILES	O=C(c1ccccc1)c1ccc(F)c(F)c1
InChIKey	ZJTYHSBOZAQQGF-UHFFFAOYSA-N
PubChem CID	569908
EC No.	285-659-4
DTXSID	DTXSID80234245

Chemische & physikalische Eigenschaften

XLogP	3,7
Polarare Oberfläche (TPSA)	17,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	16
Formalladung	0
Komplexität	248
Schmelzpunkt	53-55 °C(lit.)
Siedepunkt	314.2±32.0 °C(Predicted)
Dichte	1.2543 (estimate)
Flammpunkt	>230 °F
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	powder to crystal
Farbe	White to Light yellow to Light orange
BRN	7808356
InChI	1S/C13H8F2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H
InChIKey	ZJTYHSBOZAQQGF-UHFFFAOYSA-N
SMILES	Fc1ccc(cc1F)C(=O)c2ccccc2
CAS Datenbank	85118-07-6(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29147000
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-37/39
Gefahrenklasse	IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3
Lagerklasse	13 - Non Combustible Solids

CAS No.

85118-07-6

Summenformel

C13H8F2O

Durchschnittliche Molmasse

218,2 g/mol

Monoisotopische Masse

218,05432132 g/mol

SMILES

O=C(c1ccccc1)c1ccc(F)c(F)c1

InChIKey

ZJTYHSBOZAQQGF-UHFFFAOYSA-N

PubChem CID

569908

EC No.

285-659-4

DTXSID

DTXSID80234245

Chemische & physikalische Eigenschaften

XLogP

3,7

Polarare Oberfläche (TPSA)

17,1

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

248

Schmelzpunkt

53-55 °C(lit.)

Siedepunkt

314.2±32.0 °C(Predicted)

Dichte

1.2543 (estimate)

Flammpunkt

>230 °F

Lagerbedingungen

Sealed in dry,Room Temperature

Aggregatzustand

powder to crystal

Farbe

White to Light yellow to Light orange

BRN

7808356

InChI

1S/C13H8F2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H

InChIKey

ZJTYHSBOZAQQGF-UHFFFAOYSA-N

SMILES

Fc1ccc(cc1F)C(=O)c2ccccc2

CAS Datenbank

85118-07-6(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH315 (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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Skin Irrit. 2 (100%)

Wassergefährdungsklasse (WGK)

Zollcode

29147000

R-Sätze (R)

36/37/38

Gefahrensymbole

Sicherheitshinweise (S)

26-37/39

Gefahrenklasse

IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3

Lagerklasse

13 - Non Combustible Solids