4-Bromo-3-nitrobenzonitrile

Basic Information

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CAS Number

89642-49-9

Molecular Formula

C7H3BrN2O2

Molecular Weight

227.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

119.0 to 123.0 deg-C

Boiling Point

269 ºC

Density

1.81

Flash Point

116 ºC

Refractive Index

1.638

SMILES

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

InChI

InChI=1S/C7H3BrN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H

InChIKey

FXRMUJPWDOLCLX-UHFFFAOYSA-N

LogP

2.75218

Complexity

229

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

Synonyms & References

English

4-Bromo-3-nitrobenzonitrile
3-nitro-4-broMobenzonitrile
Benzonitrile, 4-bromo-3-nitro-
2-Bromo-5-cyanonitrobenzene
PubChem4722
KSC663G4J
Benzonitrile,4-bromo-3-nitro-
FXRMUJPWDOLCLX-UHFFFAOYSA-N
FCH135647
4-bromanyl-3-nitro-benzenecarbonitrile
CM12987
AS05809
VZ28544
TRA0079001
AM61698
OR61310
BC002821
SY006
4-Bromo-3-nitrobenzonitrile (ACI)
SCHEMBL395771
EN300-301481
SY006703
J-514750
B4708
3-NITRO-4-BROMOBENZONITRILE
DB-081688
CS-0041914
89642-49-9
DS-13412
MFCD00982006
A843269

MDL Number

MFCD00982006

Customs Code

2926909090

FAQ

What is 4-Bromo-3-nitrobenzonitrile (CAS: 89642-49-9)?

4-Bromo-3-nitrobenzonitrile (CAS: 89642-49-9) is an organic compound with the chemical formula C7H3BrN2O2. It is a solid with a pungent odor. This compound is used in the synthesis of various pharmaceuticals and dyes.

What are the main uses of 4-Bromo-3-nitrobenzonitrile (CAS: 89642-49-9)?

4-Bromo-3-nitrobenzonitrile (CAS: 89642-49-9) is primarily used in the pharmaceutical industry for the synthesis of drugs. It is also used in the production of dyes and as a reagent in organic synthesis.

Is 4-Bromo-3-nitrobenzonitrile (CAS: 89642-49-9) safe?

4-Bromo-3-nitrobenzonitrile (CAS: 89642-49-9) is not considered safe for general use without proper protective measures. It is flammable and should be handled with care. Wear protective clothing, gloves, and goggles to avoid contact with skin and eyes.

How should 4-Bromo-3-nitrobenzonitrile (CAS: 89642-49-9) be stored?

4-Bromo-3-nitrobenzonitrile (CAS: 89642-49-9) should be stored in a cool, dry place away from heat and sources of ignition. Keep it in a tightly sealed container and avoid exposure to light. Store it at room temperature or below 25°C to prevent degradation.