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HCID 2736675Erstellt: 27. Oktober 2026

2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride

BUTTPARK 27\06-37 · 2-Chloro-4-(Trifluoromethyl)Benze · 2-CHLORO-4-(TRIFLUOROMETHYL)BENZENESULF& · 2-CHORO-4-(TRIFLUOROMETHYL)BENZENESULFONYL · 2-Chloro-4-(trifluoromethyl)benzenesulfonyl · 3-Chloro-4-(chlorosulphonyl)benzotrifluoride · 2-CHLORO-4-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE · 2-CHLORO-4-(TRIFLUOROMETHYL)BENZENESULPHONYL CHLORIDE

https://huagongshe.com/de/chemical/2736675

Molekülstruktur von 2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride

Identifikatoren & physikalische Daten

CAS No.	175205-54-6
Summenformel	C7H3Cl2F3O2S
Durchschnittliche Molmasse	279,06 g/mol
Monoisotopische Masse	277,91829036 g/mol
SMILES	O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1Cl
InChIKey	NJXDBSSSDPOAFI-UHFFFAOYSA-N
PubChem CID	2736675
EC No.	626-091-2
DTXSID	DTXSID60371521

Chemische & physikalische Eigenschaften

XLogP	3,5
Polarare Oberfläche (TPSA)	42,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	1
Schwere Atome	15
Formalladung	0
Komplexität	322
Schmelzpunkt	37-39°C
Siedepunkt	70-71 °C/0.5 mmHg (lit.)
Dichte	1.597 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.5080(lit.)
Flammpunkt	>230 °F
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand	clear liquid
Farbe	Light orange to Yellow to Green
InChI	1S/C7H3Cl2F3O2S/c8-5-3-4(7(10,11)12)1-2-6(5)15(9,13)14/h1-3H
InChIKey	NJXDBSSSDPOAFI-UHFFFAOYSA-N
SMILES	FC(F)(F)c1ccc(c(Cl)c1)S(Cl)(=O)=O
CAS Datenbank	175205-54-6(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 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 Corr. 1B (100%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 3265 8/PG 3
Zollcode	29049090
R-Sätze (R)	34-43
Gefahrensymbole	C
hazard_note	Corrosive
Sicherheitshinweise (S)	26-36/37/39-45
Gefahrenklasse	8Eye Dam. 1Skin Corr. 1BSkin Sens. 1
Verpackungsgruppe	II
Lagerklasse	8A - Combustible corrosive hazardous materials

2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride

CAS No.

175205-54-6

Summenformel

C7H3Cl2F3O2S

Durchschnittliche Molmasse

279,06 g/mol

Monoisotopische Masse

277,91829036 g/mol

SMILES

O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1Cl

InChIKey

NJXDBSSSDPOAFI-UHFFFAOYSA-N

PubChem CID

2736675

EC No.

626-091-2

DTXSID

DTXSID60371521

Chemische & physikalische Eigenschaften

XLogP

3,5

Polarare Oberfläche (TPSA)

42,5

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

322

Schmelzpunkt

37-39°C

Siedepunkt

70-71 °C/0.5 mmHg (lit.)

Dichte

1.597 g/mL at 25 °C (lit.)

Brechungsindex

n20/D 1.5080(lit.)

Flammpunkt

>230 °F

Lagerbedingungen

under inert gas (nitrogen or Argon) at 2-8°C

Aggregatzustand

clear liquid

Farbe

Light orange to Yellow to Green

InChI

1S/C7H3Cl2F3O2S/c8-5-3-4(7(10,11)12)1-2-6(5)15(9,13)14/h1-3H

InChIKey

NJXDBSSSDPOAFI-UHFFFAOYSA-N

SMILES

FC(F)(F)c1ccc(c(Cl)c1)S(Cl)(=O)=O

CAS Datenbank

175205-54-6(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 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 Corr. 1B (100%)

Wassergefährdungsklasse (WGK)

UN-Transportnummer

UN 3265 8/PG 3

Zollcode

29049090

R-Sätze (R)

34-43

Gefahrensymbole

hazard_note

Corrosive

Sicherheitshinweise (S)

26-36/37/39-45

Gefahrenklasse

8Eye Dam. 1Skin Corr. 1BSkin Sens. 1

Verpackungsgruppe

Lagerklasse

8A - Combustible corrosive hazardous materials