methyl 4-cyanobenzoate

Basic Information

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CAS Number

1129-35-7

Molecular Formula

C9H7NO2

Molecular Weight

161.16 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

Basic Physical Properties

Melting Point

65.0 to 69.0 deg-C

Boiling Point

142°C/12mmHg

Water Solubility

Insoluble in water. Soluble in chloroform and ethyl acetate.

Flash Point

142-144°C/12mm

Refractive Index

1.5050 (estimate)

SMILES

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

InChI

InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H3

InChIKey

KKZMIDYKRKGJHG-UHFFFAOYSA-N

LogP

1.34488

Complexity

208

Safety Information

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Hazard Statement

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

CS-W019823
UNII-F8FMS7O8XG
NS00023666
4-cyano-benzoic acid methyl ester
4-(Methoxycarbonyl)benzonitrile
SCHEMBL7393
InChI=1/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H
AKOS000278861
MFCD00001823
F8FMS7O8XG
Z18372983
1129-35-7
Benzoic acid, p-cyano-, methyl ester
C1119
EN300-60642
4-CYAN-BENZOIC ACID-METHYL ESTER
W-108631
AC-7339
Methyl 4-cyanobenzoate
Benzoic acid, 4-cyano-, methyl ester
AC-907/25014377
TS-02142
Methyl 4-cyanobenzoate;4-Cyanobenzoic acid methyl ester
4-Cyanobenzoic acid methyl ester
EINECS 214-443-4
4-cyanobenzoic acid methylester
Methyl p-cyanobenzoate
p-Cyanobenzoic acid methyl ester
A802703
methyl4-cyanobenzoate
methyl-4-cyanobenzoate

MDL Number

MFCD00001823

Customs Code

2926909090

FAQ

What regulatory guidelines apply to methyl 4-cyanobenzoate (CAS: 1129-35-7)?

Methyl 4-cyanobenzoate (CAS: 1129-35-7) is regulated under various guidelines including GHS for chemical classification and hazard communication, REACH for registration, evaluation, authorization, and restriction of chemicals in Europe, and FDA/EPA regulations for its use in pharmaceuticals, pesticides, and other applications. Specific safety data sheets (SDS) and product safety information are required for handling and storage.

Are there alternatives to methyl 4-cyanobenzoate (CAS: 1129-35-7) in synthesis?

While methyl 4-cyanobenzoate is a useful intermediate in organic synthesis, alternatives include other cyanobenzoic acids, such as ethyl 4-cyanobenzoate or phenyl 4-cyanobenzoate, and related compounds like benzoyl cyanide. These alternatives can serve as effective substitutes depending on the specific reaction conditions and desired product.

What is the market or research trend for methyl 4-cyanobenzoate (CAS: 1129-35-7)?

Methyl 4-cyanobenzoate (CAS: 1129-35-7) is gaining interest in pharmaceutical and material science research for its potential in synthesizing various compounds. Market trends show increasing demand for its use in developing new drugs and advanced materials. Research is also focusing on its environmental impact and sustainable production methods.

How should waste containing methyl 4-cyanobenzoate (CAS: 1129-35-7) be handled?

Waste containing methyl 4-cyanobenzoate (CAS: 1129-35-7) should be collected in appropriate containers and treated as hazardous waste. Professional incineration or safe chemical disposal methods should be employed. Environmental precautions include minimizing spillage, ensuring proper ventilation, and following local waste management regulations to prevent contamination.