3-Bromo-4-formylbenzonitrile

Basic Information

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CAS Number

89891-69-0

Molecular Formula

C8H4BrNO

Molecular Weight

210.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

118-120 ºC

Boiling Point

308 ºC

Density

1.65

Flash Point

140 ºC

SMILES

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C1=CC(=C(C=C1C#N)Br)C=O

InChI

InChI=1S/C8H4BrNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,5H

InChIKey

ADHKMYHLJHBOKB-UHFFFAOYSA-N

LogP

2.13328

Complexity

196

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

3-Bromo-4-formylbenzonitrile
2-Bromo-4-cyanobenzaldehyde
Benzonitrile,3-bromo-4-formyl-
3-Bromo-4-formyl-benzonitrile
ADHKMYHLJHBOKB-UHFFFAOYSA-N
FCH1391911
AM83129
CM10650
AS06403
AX8213188
ST24041868
C3234
X2123
3-Bromo-4-formylbenzonitrile (ACI)
Benzaldehyde, 2-bromo-4-cyano- (7CI)
3-bromo-4-formylbenzonitrile
2-Bromo-4-cyanobenzaldehyde;
AS-18775
DB-366151
AKOS015904297
SB39710
AC-28589
CS-0043153
2-BROMO-4-CYANOBENZALDEHYDE
CK2090
SY105076
EN300-97890
MFCD09261031
DTXSID10608253
89891-69-0
C8H4BrNO

MDL Number

MFCD09261031

Customs Code

2926909090

FAQ

What is 3-Bromo-4-formylbenzonitrile (CAS: 89891-69-0)?

3-Bromo-4-formylbenzonitrile is an organic compound with the molecular formula C9H5BrNO. It is a white crystalline solid with a distinctive odor. This compound is primarily used in pharmaceuticals, dyes, and as a chemical intermediate in the synthesis of other compounds.

What are the main uses of 3-Bromo-4-formylbenzonitrile (CAS: 89891-69-0)?

3-Bromo-4-formylbenzonitrile is mainly used in the pharmaceutical industry for the synthesis of antifungal and antiviral drugs. It is also used as a precursor in the production of dyes and as a chemical intermediate in organic synthesis.

Is 3-Bromo-4-formylbenzonitrile (CAS: 89891-69-0) safe?

3-Bromo-4-formylbenzonitrile can be hazardous due to its reactive nature. Proper handling, including the use of personal protective equipment (PPE) and working in a well-ventilated area, is advised. Storage should be in a cool, dry place away from heat and ignition sources.

How should 3-Bromo-4-formylbenzonitrile (CAS: 89891-69-0) be stored?

3-Bromo-4-formylbenzonitrile should be stored in a cool, dry place at room temperature. It should be kept away from heat, ignition sources, and direct sunlight. The compound should be stored in a tightly sealed container to prevent moisture and air exposure.