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Safety Information

516929

Sigma-Aldrich

2-Amino-3-bromo-5-nitrobenzonitrile

97%

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About This Item

Linear Formula:
H2NC6H2(Br)(NO2)CN
CAS Number:
17601-94-4
Molecular Weight:
242.03
EC Number:
241-574-4
MDL number:
MFCD00054185
UNSPSC Code:
12352100
PubChem Substance ID:
24873907
NACRES:
NA.22

Assay

97%

mp

180-185 °C (lit.)

SMILES string

Nc1c(Br)cc(cc1C#N)[N+]([O-])=O

InChI

1S/C7H4BrN3O2/c8-6-2-5(11(12)13)1-4(3-9)7(6)10/h1-2H,10H2

InChI key

MUHLVSZIVTURCZ-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

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBJ2185V
MKBH1182V
08421CO

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The conversion of 2-(4-chloro-5H-1, 2, 3-dithiazolylideneamino) benzonitriles into 3-aminoindole-2-carbonitriles using triphenylphosphine.
Michaelidou SS and Koutentis PA.
Tetrahedron, 65(40), 8428-8433 (2009)
P David Josephy et al.
Environmental and molecular mutagenesis, 57(1), 10-16 (2015-09-24)
Genotoxicity data on commercial azo dyes and their components remain sparse, despite their widespread use. We have tested the mutagenicity of 2-cyano-4-nitroaniline (CNNA) and 2,6-dicyano-4-nitroaniline (CNCNNA), components of azo dyes such as Disperse Blue 165 and Disperse Red 73, in
Vilas Venunath Patil et al.
The Journal of organic chemistry, 80(16), 7876-7883 (2015-07-28)
Unusual regio- and chemoselective oxidation of aromatic amines hindered with ortho substituents (except -NH2, -NHCH3, and -OH) to the corresponding nitro compounds is described by use of nonanebis(peroxoic acid). The mechanistic investigation for selective oxidation of amines ortho-substituted with -NH2

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