1-(3-Bromo-4-methoxyphenyl)ethanone

Basic Information

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CAS Number

35310-75-9

Molecular Formula

C9H9BrO2

Molecular Weight

229.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

86-88 ºC

Boiling Point

316.6°C at 760 mmHg

SMILES

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CC(=O)C1=CC(=C(C=C1)OC)Br

InChI

InChI=1S/C9H9BrO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3

InChIKey

JYPGOBDETCKKKV-UHFFFAOYSA-N

LogP

2.6603000000000003

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

170

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

CL9267
FS-1404
A822727
BB 0221145
1-(3-bromanyl-4-methoxy-phenyl)ethanone
SCHEMBL313116
AC-25574
1-(3-bromo-4-methoxy-phenyl)-ethanone
J-503101
1-(3-BROMO-4-METHOXYPHENYL)-1-ETHANONE
DS-1847
AB01318974-02
DTXSID20346376
35310-75-9
1-(3-Bromo-4-methoxyphenyl)ethanone
3 inverted exclamation mark -Bromo-4 inverted exclamation mark -methoxyacetophenone
EN300-11310
NCGC00323195-01
1-(3-bromo-4-methoxyphenyl)ethan-1-one
3-bromo-4-methoxyacetophenone
AM20061062
MFCD01812494
SY019705
FT-0600933
AKOS001084409
1-(3-Bromo-4-methoxyphenyl)ethanone #
3'-Bromo-4'-methoxyacetophenone
Ethanone, 1-(3-bromo-4-methoxyphenyl)-
1-(3-Bromo-4-methoxyphenyl)ethanone, AldrichCPR
Z57042009
CS-W021215

MDL Number

MFCD01812494

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 1-(3-Bromo-4-methoxyphenyl)ethanone (CAS: 35310-75-9)?

1-(3-Bromo-4-methoxyphenyl)ethanone (CAS: 35310-75-9) is a white crystalline solid with a molecular weight of approximately 255.02 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetonitrile. This compound is known for its moderate reactivity, particularly towards nucleophilic substitution reactions at the bromine atom. It is also susceptible to hydrolysis under basic conditions.

How is 1-(3-Bromo-4-methoxyphenyl)ethanone (CAS: 35310-75-9) typically synthesized?

1-(3-Bromo-4-methoxyphenyl)ethanone (CAS: 35310-75-9) is typically synthesized through the reaction of 4-methoxyphenylacetic acid with bromine in the presence of a Lewis acid catalyst such as aluminum bromide. The reaction involves bromination of the phenyl ring followed by elimination to form the ketone. The yield is generally good, around 80-90%, and the reaction is selective towards the bromination of the meta-position.

What industries use 1-(3-Bromo-4-methoxyphenyl)ethanone (CAS: 35310-75-9)?

1-(3-Bromo-4-methoxyphenyl)ethanone (CAS: 35310-75-9) is used in various industries including pharmaceuticals, where it serves as an intermediate in drug synthesis. It is also utilized in the synthesis of certain materials for polymers and sensors. Additionally, this compound has potential applications in the development of semiconductors due to its electronic properties.

What precautions should be taken when handling 1-(3-Bromo-4-methoxyphenyl)ethanone (CAS: 35310-75-9)?

When handling 1-(3-Bromo-4-methoxyphenyl)ethanone (CAS: 35310-75-9), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. Spills should be cleaned up using absorbent material and disposed of according to local regulations. Consulting the Safety Data Sheet (SDS) for detailed handling and safety information is recommended.