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718734

Sigma-Aldrich

5-Methoxy-2-nitro-4-(trifluoromethyl)phenylacetonitrile

97%

Synonym(s):

5-Methoxy-2-nitro-4-(trifluoromethyl)benzyl cyanide

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About This Item

Empirical Formula (Hill Notation):
C10H7F3N2O3
CAS Number:
178896-77-0
Molecular Weight:
260.17
MDL number:
MFCD11848554
UNSPSC Code:
12352100
PubChem Substance ID:
329763601
NACRES:
NA.22

Assay

97%

form

solid

mp

102-106 °C

SMILES string

COc1cc(CC#N)c(cc1C(F)(F)F)[N+]([O-])=O

InChI

1S/C10H7F3N2O3/c1-18-9-4-6(2-3-14)8(15(16)17)5-7(9)10(11,12)13/h4-5H,2H2,1H3

InChI key

IANAREFPKLOIAF-UHFFFAOYSA-N

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

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