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HCID 73752Erstellt: 2. November 2026

[(Difluormethyl)thio]benzol

(difluoromethyl)(phenyl)sulfane · Phenyl difluoromethyl sulfide · [(difluoromethyl)thio]benzene · Difluoromethyl Phenyl Sulfide · alpha,alpha-Difluorothioanisole · Benzene, [(difluoroMethyl)thio]- · [(difluoromethyl)sulfanyl]benzene

https://huagongshe.com/de/chemical/73752

Molekülstruktur von [(Difluormethyl)thio]benzol

Identifikatoren & physikalische Daten

CAS No.	1535-67-7
Summenformel	C7H6F2S
Durchschnittliche Molmasse	160,19 g/mol
Monoisotopische Masse	160,01582769 g/mol
SMILES	FC(F)Sc1ccccc1
InChIKey	KDNBCPHMQJEQLV-UHFFFAOYSA-N
PubChem CID	73752
EC No.	216-255-8
DTXSID	DTXSID00165340
Lokaler Name	[(Difluormethyl)thio]benzol

Chemische & physikalische Eigenschaften

XLogP	3,7
Polarare Oberfläche (TPSA)	25,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	10
Formalladung	0
Komplexität	89,6
SpringerMaterials Properties	19F nuclear magnetic resonance spectrum
LogP (Verteilungskoeffizient)	2.89
Siedepunkt	63°C/7mmHg(lit.)
Dichte	1.21±0.1 g/cm3(Predicted)
Brechungsindex	1.5090 to 1.5130
Lagerbedingungen	Storage temp. 2-8°C
Aggregatzustand	clear liquid
Farbe	Colorless to Almost colorless
InChI	InChI=1S/C7H6F2S/c8-7(9)10-6-4-2-1-3-5-6/h1-5,7H
InChIKey	KDNBCPHMQJEQLV-UHFFFAOYSA-N
SMILES	C1(SC(F)F)=CC=CC=C1

Sicherheit & Vorschriften

GHS-Einstufung	WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Flam. Liq. 3 (100%)
UN-Transportnummer	UN 1993 3/PG III
Zollcode	2930909899
Gefahrenklasse	3
Verpackungsgruppe	III

CAS No.

1535-67-7

Summenformel

C7H6F2S

Durchschnittliche Molmasse

160,19 g/mol

Monoisotopische Masse

160,01582769 g/mol

SMILES

FC(F)Sc1ccccc1

InChIKey

KDNBCPHMQJEQLV-UHFFFAOYSA-N

PubChem CID

73752

EC No.

216-255-8

DTXSID

DTXSID00165340

Lokaler Name

[(Difluormethyl)thio]benzol

Chemische & physikalische Eigenschaften

XLogP

3,7

Polarare Oberfläche (TPSA)

25,3

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

89,6

SpringerMaterials Properties

19F nuclear magnetic resonance spectrum

LogP (Verteilungskoeffizient)

2.89

Siedepunkt

63°C/7mmHg(lit.)

Dichte

1.21±0.1 g/cm3(Predicted)

Brechungsindex

1.5090 to 1.5130

Lagerbedingungen

Storage temp. 2-8°C

Aggregatzustand

clear liquid

Farbe

Colorless to Almost colorless

InChI

InChI=1S/C7H6F2S/c8-7(9)10-6-4-2-1-3-5-6/h1-5,7H

InChIKey

KDNBCPHMQJEQLV-UHFFFAOYSA-N

SMILES

C1(SC(F)F)=CC=CC=C1

Sicherheit & Vorschriften

GHS-Einstufung

WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Flam. Liq. 3 (100%)

UN-Transportnummer

UN 1993 3/PG III

Zollcode

2930909899

Gefahrenklasse

Verpackungsgruppe

III