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Merck
CN

777595

3-(Difluoromethyl)benzonitrile

97%

Synonym(s):

1-Cyano-3-(difluoromethyl)benzene

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About This Item

Empirical Formula (Hill Notation):
C8H5F2N
CAS Number:
55805-13-5
Molecular Weight:
153.13
MDL number:
MFCD19053256
UNSPSC Code:
12352100
PubChem Substance ID:
329767914
NACRES:
NA.22

Key Documents

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Assay

97%

form

liquid

refractive index

n20/D 1.496

density

1.228 g/mL at 25 °C

functional group

fluoro
nitrile

storage temp.

2-8°C

SMILES string

FC(F)C1=CC=CC(C#N)=C1

InChI

1S/C8H5F2N/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,8H

InChI key

IIIPGVXKHUPPJQ-UHFFFAOYSA-N

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314,H412

Hazard Classifications

Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBP9407V

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