(2-Cyanophenyl)acetic acid

Basic Information

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CAS Number

18698-99-2

Molecular Formula

C9H7NO2

Molecular Weight

17.03 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

Basic Physical Properties

Melting Point

122-123 ºC

Boiling Point

334.4°C at 760 mmHg

Flash Point

156 ºC

SMILES

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

InChI

InChI=1S/C9H7NO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5H2,(H,11,12)

InChIKey

QLHZKPQKYARBGT-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

216

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

(2-Cyano-phenyl)-acetic acid
AKOS005257280
UNII-JV82PCF67H
2-(2-cyanophenyl)aceticacid
2-(Cyanophenyl)acetic acid
QLHZKPQKYARBGT-UHFFFAOYSA-N
AM83034
CL8757
SCHEMBL3974171
2-cyanophenylacetic acid
Benzeneacetic acid, 2-cyano-
EINECS 242-510-8
A4137
AC-28490
2-Cyanobenzeneacetic acid
FT-0600186
J-500727
AC-907/34120043
SY013014
FS-3472
DTXSID30171959
BENZENEACETIC ACID,2-CYANO-
(2-Cyanophenyl)acetic acid
2-(2-cyanophenyl)acetic acid
NS00026112
(2-Cyanophenyl)acetic acid, AldrichCPR
MFCD01646238
JV82PCF67H
CS-W005104
(2-Cyano-phenyl)-aceticacid
18698-99-2

MDL Number

MFCD15527317

Customs Code

2926909090

FAQ

What is (2-Cyanophenyl)acetic acid (CAS: 18698-99-2)?

(2-Cyanophenyl)acetic acid is a chemical compound with the CAS number 18698-99-2. It is an aromatic carboxylic acid with a molecular formula of C9H7NO2. It is commonly used in pharmaceuticals, synthetic organic chemistry, and as a research chemical.

What are the main uses of (2-Cyanophenyl)acetic acid (CAS: 18698-99-2)?

(2-Cyanophenyl)acetic acid is primarily used in the pharmaceutical industry for the synthesis of medicinal compounds. It is also utilized in research and development for various organic reactions and as a precursor in chemical synthesis processes.

Is (2-Cyanophenyl)acetic acid (CAS: 18698-99-2) safe?

(2-Cyanophenyl)acetic acid is generally safe when handled with proper protective measures. However, it is corrosive and may cause skin and eye irritation. It is important to wear gloves, goggles, and protective clothing when handling this compound. Immediate rinsing with water is recommended in case of contact with skin or eyes.

How should (2-Cyanophenyl)acetic acid (CAS: 18698-99-2) be stored?

(2-Cyanophenyl)acetic acid 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 and light exposure. Avoid storing it near incompatible materials, such as strong acids, bases, or oxidizers. Proper ventilation is also recommended during storage to prevent the accumulation of hazardous fumes.