Methyl 4-(cyanomethyl)benzoate

Basic Information

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CAS Number

76469-88-0

Molecular Formula

C10H9NO2

Molecular Weight

175.18 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

60.0 to 64.0 deg-C

Boiling Point

112°C/0.2mmHg

SMILES

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

InChI

InChI=1S/C10H9NO2/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h2-5H,6H2,1H3

InChIKey

XRZGMNGGCZTNGE-UHFFFAOYSA-N

LogP

1.53928

Complexity

220

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

4-Cyanomethylbenzoic acid methyl ester
AS-15415
4-cyanomethylbenzoic acid, methyl ester
AM20041135
76469-88-0
methyl p-cyanomethylbenzoate
4-(Cyanomethyl)benzoic Acid Methyl Ester
FT-0618303
CS-W007933
A24724
MFCD00060695
CL9297
DTXSID00357248
EN300-29522
Methyl 4-(Cyanomethyl) Benzoate
METHYL4-(CYANOMETHYL)BENZOATE
SCHEMBL378575
SY005217
Methyl 4-(cyanomethyl)benzoate, 96%
4-cyanomethyl benzoic acid methyl ester
4-cyanomethyl-benzoic acid methyl ester
Benzoic acid, 4-(cyanomethyl)-, methyl ester
M2341
Methyl 4-(cyanomethyl)benzoate
AC-25706
Z283862222
4-(carbomethoxy)phenylacetonitrile
Methyl 4-Cyanomethylbenzoate
XRZGMNGGCZTNGE-UHFFFAOYSA-N
J-650115
AKOS001430834

MDL Number

MFCD00060695

FAQ

What regulatory guidelines apply to Methyl 4-(cyanomethyl)benzoate (CAS: 76469-88-0)?

Methyl 4-(cyanomethyl)benzoate (CAS: 76469-88-0) falls under various regulatory guidelines. It is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a category 2 skin corrosive and a category 2 eye irritant. For European Union (EU) manufacturers and importers, compliance with REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) is required. Additionally, the EPA in the USA and FDA in the pharmaceutical sector have specific requirements for handling and manufacturing this compound.

Are there alternatives to Methyl 4-(cyanomethyl)benzoate (CAS: 76469-88-0) in synthesis?

Methyl 4-(cyanomethyl)benzoate (CAS: 76469-88-0) can be synthesized using a variety of alternatives, such as Methyl 4-(methoxymethyl)benzoate or Methyl 4-(phenylmethyl)benzoate, depending on the desired properties. These alternatives may offer similar functional groups but with different reactivity profiles, making them suitable for different types of reactions and applications.

What is the market or research trend for Methyl 4-(cyanomethyl)benzoate (CAS: 76469-88-0)?

Methyl 4-(cyanomethyl)benzoate (CAS: 76469-88-0) is currently seeing increased interest in the pharmaceutical and cosmetic industries due to its potential as a stabilizer and preservative. Research trends indicate a growing focus on its use in controlled-release formulations and as a UV absorber. Market trends show steady demand, with a slight increase in price due to rising raw material costs and growing demand from emerging markets.

How should waste containing Methyl 4-(cyanomethyl)benzoate (CAS: 76469-88-0) be handled?

Waste containing Methyl 4-(cyanomethyl)benzoate (CAS: 76469-88-0) should be collected in appropriate containers and stored in a well-ventilated area away from heat and ignition sources. Incineration is a common method for disposal, but professional waste disposal services should be considered for large quantities. Environmental protection measures include neutralizing the waste to a pH of 7-8 before disposal to minimize environmental impact. Always follow local and national waste disposal regulations.