Methyl 5-bromo-2-cyanobenzoate

Basic Information

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CAS Number

714237-95-3

Molecular Formula

C9H6BrNO2

Molecular Weight

229.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C9H6BrNO2/c1-13-9(12)8-4-7(10)3-2-6(8)5-11/h2-4H,1H3

InChIKey

JYCDKDCBYOOZLW-UHFFFAOYSA-N

LogP

2.5441200000000004

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

245

Synonyms & References

English

DTXSID20697517
AB7468
METHYL5-BROMO-2-CYANOBENZOATE
DS-17716
714237-95-3
Benzoic acid, 5-bromo-2-cyano-, methyl ester
SY103163
Z1269229146
FT-0748017
5-Bromo-2-cyano-benzoic acid methyl ester
AKOS016006923
EN300-747249
METHYL 5-BROMO-2-CYANOBENZOATE
MFCD15523586
CS-0105632
BENZOIC ACID,5-BROMO-2-CYANO-,METHYL ESTER
Methyl 5-bromo-2-cyanobenzoate
BENZOIC ACID, 5-BROMO-2-CYANO-, METHYL ESTER
methyl 5-bromo-2-cyano-benzoate
1089AC
FCH1390827
AB0049325
AX8237147

MDL Number

MFCD15523586

Customs Code

2926909090

FAQ

What is Methyl 5-bromo-2-cyanobenzoate (CAS: 714237-95-3)?

Methyl 5-bromo-2-cyanobenzoate is an organic compound with the CAS number 714237-95-3. It is a derivative of benzoic acid containing a cyano and bromo substituent on the benzene ring. It is used in research, pharmaceuticals, and chemical synthesis.

What are the main uses of Methyl 5-bromo-2-cyanobenzoate (CAS: 714237-95-3)?

Methyl 5-bromo-2-cyanobenzoate is primarily used in research for the synthesis of other compounds, particularly in medicinal chemistry and drug discovery. It is also utilized in the preparation of other chemical intermediates.

Is Methyl 5-bromo-2-cyanobenzoate (CAS: 714237-95-3) safe?

Methyl 5-bromo-2-cyanobenzoate is generally safe when handled with proper precautions. It is important to follow safety guidelines, including the use of appropriate personal protective equipment, and to avoid prolonged skin contact or inhalation. Proper ventilation is recommended during handling.

How should Methyl 5-bromo-2-cyanobenzoate (CAS: 714237-95-3) be stored?

Methyl 5-bromo-2-cyanobenzoate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Storage temperatures should be maintained below 25°C (77°F) to ensure stability and safety.