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HCID 2782813Erstellt: 4. November 2026

2-Chloro-3-fluoro-4-(trifluoromethyl)pyridine

2-chloro-3-fluoro-4-pyridine · 2-Chloro-3-fluoro-4-(trifluoromethyl)pyridine · Pyridine, 2-chloro-3-fluoro-4-(trifluoromethyl)-

https://huagongshe.com/de/chemical/2782813

Molekülstruktur von 2-Chloro-3-fluoro-4-(trifluoromethyl)pyridine

Identifikatoren & physikalische Daten

CAS No.	628692-22-8
Summenformel	C6H2ClF4N
Durchschnittliche Molmasse	199,53 g/mol
Monoisotopische Masse	198,98118962 g/mol
SMILES	Fc1c(C(F)(F)F)ccnc1Cl
InChIKey	YKQVABFVOGPIKX-UHFFFAOYSA-N
PubChem CID	2782813
EC No.	672-531-1
DTXSID	DTXSID20382315

Chemische & physikalische Eigenschaften

XLogP	2,8
Polarare Oberfläche (TPSA)	12,9
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	0
Schwere Atome	12
Formalladung	0
Komplexität	160
Siedepunkt	35-37°C 25mm
Dichte	1.506 g/mL at 25 °C
Brechungsindex	1.44
Flammpunkt	35-37°C/25mm
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand	liquid
pKa (Säurekonstante)	-1.53±0.10(Predicted)
InChI	InChI=1S/C6H2ClF4N/c7-5-4(8)3(1-2-12-5)6(9,10)11/h1-2H
InChIKey	YKQVABFVOGPIKX-UHFFFAOYSA-N
SMILES	C1(Cl)=NC=CC(C(F)(F)F)=C1F

Sicherheit & Vorschriften

GHS-Einstufung	DangerH300 (86.4%): Fatal if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 2 (86.4%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	2810
Zollcode	29333990
R-Sätze (R)	20/21/22-36/37/38-25
Gefahrensymbole	Xi,T
hazard_note	Irritant
Sicherheitshinweise (S)	26-36/37/39-45-36/37-9
Gefahrenklasse	6.1Acute Tox. 2 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Verpackungsgruppe	III
Lagerklasse	6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

CAS No.

628692-22-8

Summenformel

C6H2ClF4N

Durchschnittliche Molmasse

199,53 g/mol

Monoisotopische Masse

198,98118962 g/mol

SMILES

Fc1c(C(F)(F)F)ccnc1Cl

InChIKey

YKQVABFVOGPIKX-UHFFFAOYSA-N

PubChem CID

2782813

EC No.

672-531-1

DTXSID

DTXSID20382315

Chemische & physikalische Eigenschaften

XLogP

2,8

Polarare Oberfläche (TPSA)

12,9

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

160

Siedepunkt

35-37°C 25mm

Dichte

1.506 g/mL at 25 °C

Brechungsindex

1.44

Flammpunkt

35-37°C/25mm

Lagerbedingungen

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

Aggregatzustand

liquid

pKa (Säurekonstante)

-1.53±0.10(Predicted)

InChI

InChI=1S/C6H2ClF4N/c7-5-4(8)3(1-2-12-5)6(9,10)11/h1-2H

InChIKey

YKQVABFVOGPIKX-UHFFFAOYSA-N

SMILES

C1(Cl)=NC=CC(C(F)(F)F)=C1F

Sicherheit & Vorschriften

GHS-Einstufung

DangerH300 (86.4%): Fatal if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 2 (86.4%)

Wassergefährdungsklasse (WGK)

UN-Transportnummer

2810

Zollcode

29333990

R-Sätze (R)

20/21/22-36/37/38-25

Gefahrensymbole

Xi,T

hazard_note

Irritant

Sicherheitshinweise (S)

26-36/37/39-45-36/37-9

Gefahrenklasse

6.1Acute Tox. 2 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Verpackungsgruppe

III

Lagerklasse

6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials