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42601-04-7

42601-04-7 Structure

42601-04-7 Structure
IdentificationBack Directory
[Name]

3,4-DIFLUOROPHENYL ISOCYANATE
[CAS]

42601-04-7
[Synonyms]

3,4-DIFLUOROPHENYL ISOCYANATE
3,4-Difluoro-1-isocyanatobenzene
3,4-Difluorophenyl isocyanate 2GR
Isocyanic Acid 3,4-Difluorophenyl Ester
[Molecular Formula]

C7H3F2NO
[MDL Number]

MFCD00065711
[MOL File]

42601-04-7.mol
[Molecular Weight]

155.1
Chemical PropertiesBack Directory
[Appearance]

Yellow liquid
[Boiling point ]

164 °C(lit.)
[density ]

1.326 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.498(lit.)
[Fp ]

145 °F
[storage temp. ]

Refrigerator
[form ]

Liquid
[color ]

Yellow
[Sensitive ]

Moisture Sensitive/Lachrymatory
[InChI]

InChI=1S/C7H3F2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
[InChIKey]

YBWJVFMNWMLZEN-UHFFFAOYSA-N
[SMILES]

C1(F)=CC=C(N=C=O)C=C1F
Hazard InformationBack Directory
[Chemical Properties]

Yellow liquid
[Uses]

3,4-Difluorophenyl isocyanate may be used in the preparation of (±)-trans-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)-2,5-dimethylpiperazine-1-carboxamide.
[General Description]

3,4-Difluorophenyl isocyanate, also known as 1,2-difluoro-4-isocyanatobenzene, is an organic building block containing an isocyanate group.
Safety DataBack Directory
[Hazard Codes ]

Xn,T
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

26-36
[RIDADR ]

UN 2206 6.1/PG 2
[WGK Germany ]

3
[Hazard Note ]

Toxic/Lachrymatory/Moisture Sensitive
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29291090
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

3,4-DIFLUOROPHENYL ISOCYANATE(42601-04-7)IR
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