2-Amino-3-bromo-5-nitrobenzonitrile

Basic Information

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CAS Number

17601-94-4

Molecular Formula

C7H4BrN3O2

Molecular Weight

242.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

189.0 to 193.0 deg-C

Boiling Point

374.8 °C at 760 mmHg

Flash Point

180.5 °C

Refractive Index

1.6200 (estimate)

SMILES

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C1=C(C=C(C(=C1C#N)N)Br)[N+](=O)[O-]

InChI

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

InChIKey

MUHLVSZIVTURCZ-UHFFFAOYSA-N

LogP

2.91558

Complexity

256

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

AC-22492
2-Amino-3-bromo-5-nitro-benzonitrile
AKOS003620563
2-Amino-3-bromo-5-nitrobenzonitrile
2-Bromo-6-cyano-4-nitroaniline
Cambridge id 5228140
NS00025782
AS-11893
17601-94-4
SR-01000199663-1
2-Amino-3-bromo-5-nitrobenzonitrile, 97%
2-amino-3-bromo-5-nitrobenzenecarbonitrile
CS-0204373
FT-0637572
Benzonitrile, 2-amino-3-bromo-5-nitro-
DTXSID3066219
MUHLVSZIVTURCZ-UHFFFAOYSA-N
AB00075924-01
SCHEMBL623229
2-Amino-3-bromo-1-cyano-5-nitrobenzene
SY037736
SR-01000199663
6-bromo-2-cyano-4-nitroaniline
EINECS 241-574-4
(R)-PIPERIDIN-2-YLMETHYL-CARBAMICACIDTERT-BUTYLESTER
MFCD00054185
W-107842
1-amino-2-cyano-4-nitro-6-bromobenzene
2-bromo-4-nitro-6-cyanoaniline
2-bromo-6-cyano-4-nitroaniline
2-cyano-4-nitro-6-bromoaniline

MDL Number

MFCD00054185

Customs Code

2942000000

FAQ

What are the physical and chemical properties of 2-Amino-3-bromo-5-nitrobenzonitrile (CAS: 17601-94-4)?

2-Amino-3-bromo-5-nitrobenzonitrile is a crystalline solid with a molecular weight of approximately 276.02 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. Chemically, it shows reactivity towards nucleophiles, electrophiles, and reducing agents, making it useful in various organic synthesis reactions.

How is 2-Amino-3-bromo-5-nitrobenzonitrile (CAS: 17601-94-4) typically synthesized?

2-Amino-3-bromo-5-nitrobenzonitrile is commonly synthesized through the bromination of 2-amino-5-nitrobenzonitrile followed by nitration. The reaction typically involves the use of bromine in the presence of a Lewis acid like aluminum trichloride, and nitric acid with sulfuric acid as an oxidizing agent, with careful control of reaction conditions to achieve high yield and selectivity.

What industries use 2-Amino-3-bromo-5-nitrobenzonitrile (CAS: 17601-94-4)?

2-Amino-3-bromo-5-nitrobenzonitrile is used primarily in the pharmaceutical industry for the synthesis of certain medicaments, as well as in the chemical industry for the production of intermediates, dyes, and other organic compounds. It can also be applied in the development of sensors and semiconductors, though on a smaller scale.

What precautions should be taken when handling 2-Amino-3-bromo-5-nitrobenzonitrile (CAS: 17601-94-4)?

When handling 2-Amino-3-bromo-5-nitrobenzonitrile, it is essential to use personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure to fumes. Spills should be cleaned up carefully using appropriate absorbents, and the area should be well ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.