(3-Bromo-4-methoxyphenyl)acetonitrile

Basic Information

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CAS Number

772-59-8

Molecular Formula

C9H8BrNO

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

54.0 to 57.0 deg-C

Boiling Point

178°C/6mmHg

Density

1.5±0.1 g/cm3

Flash Point

175-178°C/6mm

Refractive Index

1.555

Vapor Pressure

0.0±0.7 mmHg at 25°C

SMILES

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COC1=C(C=C(C=C1)CC#N)Br

InChI

InChI=1S/C9H8BrNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3

InChIKey

OBJKHHRZMIIEOK-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

186

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

2-(3-bromanyl-4-methoxy-phenyl)ethanenitrile
AKOS009156590
Benzeneacetonitrile, 3-bromo-4-methoxy-
DTXSID90335030
(3-Bromo-4-methoxy-phenyl)-acetonitrile
3-Bromo-4-methoxyphenylacetonitrile
772-59-8
FS-1521
(3-Bromo-4-methoxyphenyl)acetonitrile, AldrichCPR
CS-0063831
MFCD00016391
SCHEMBL150589
D73298
A839019
SY049934
2-(3-bromo-4-methoxyphenyl)acetonitrile
3-Bromo-4-methoxybenzyl Cyanide
Benzeneacetonitrile,3-bromo-4-methoxy-
FT-0604697
B1455
3-Bromo-4-methoxybenzyl cyanide
OBJKHHRZMIIEOK-UHFFFAOYSA-N
2-(3-bromo-4-methoxyphenyl)ethanenitrile
9540AE
SBB058927
OR3047
VZ26448
FCH5086020

MDL Number

MFCD00016391

Customs Code

2926909090

FAQ

What is (3-Bromo-4-methoxyphenyl)acetonitrile (CAS: 772-59-8)?

(3-Bromo-4-methoxyphenyl)acetonitrile is a chemical compound with the CAS number 772-59-8. It has the chemical formula C9H9BrNO and is used in various applications due to its unique chemical properties.

What are the main uses of (3-Bromo-4-methoxyphenyl)acetonitrile (CAS: 772-59-8)?

(3-Bromo-4-methoxyphenyl)acetonitrile (CAS 772-59-8) is primarily used in pharmaceuticals and as a reagent in organic synthesis for the development of new drugs and materials.

Is (3-Bromo-4-methoxyphenyl)acetonitrile (CAS: 772-59-8) safe?

(3-Bromo-4-methoxyphenyl)acetonitrile (CAS 772-59-8) can be handled safely if proper precautions are taken. It is important to avoid skin contact and inhalation, and to use appropriate personal protective equipment (PPE).

How should (3-Bromo-4-methoxyphenyl)acetonitrile (CAS: 772-59-8) be stored?

(3-Bromo-4-methoxyphenyl)acetonitrile (CAS 772-59-8) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container and away from incompatible materials such as strong oxidizing agents.