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329835

Sigma-Aldrich

2-Nitro-4-(trifluoromethyl)benzonitrile

99%

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About This Item

Linear Formula:
O2NC6H3(CF3)CN
CAS Number:
778-94-9
Molecular Weight:
216.12
EC Number:
212-298-1
MDL number:
MFCD00014684
UNSPSC Code:
12352100
PubChem Substance ID:
24859817
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

100

assay

99%

form

solid

bp

156-158 °C/18 mmHg (lit.)

mp

44-47 °C (lit.)

functional group

fluoro
nitrile
nitro

SMILES string

[O-][N+](=O)c1cc(ccc1C#N)C(F)(F)F

InChI

1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)7(3-6)13(14)15/h1-3H

InChI key

BQCWLXXZTCLGSZ-UHFFFAOYSA-N

Related Categories

Application

2-Nitro-4-(trifluoromethyl)benzonitrile was used in the preparation of 2-nitro-4-(trifluoromethyl)benzaldehyde.[1]

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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    Certificates of Analysis (COA)

    Lot/Batch Number
    MKCM5791
    MKBL0464V
    MKBJ6578V
    MKBH3349V
    MKBF4239

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    Studies on the rearrangement of ortho-nitrobenzylidenemalonates and their Analogues to 2-aminobenzoate derivatives.
    Lewandowska E, et al.
    Canadian Journal of Chemistry, 80(2), 192-199 (2002)

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