1-(5-Bromo-4-methyl-2-thienyl)ethanone

Basic Information

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CAS Number

859199-06-7

Molecular Formula

C7H7BrOS

Molecular Weight

219.1 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

63-67 °C

Boiling Point

299ºC

Density

1.533

Flash Point

134ºC

SMILES

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CC1=C(SC(=C1)C(=O)C)Br

InChI

InChI=1S/C7H7BrOS/c1-4-3-6(5(2)9)10-7(4)8/h3H,1-2H3

InChIKey

KQZYEQHMHCHZKP-UHFFFAOYSA-N

LogP

3.0216200000000013

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

149

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

O10304
A841492
ETHYLE-(DIHYDROFURAN-2-YLIDENE)ACETATE
KQZYEQHMHCHZKP-UHFFFAOYSA-N
DS-5428
1-{5-bromo-4-methyl-thiophen-2-yl}-ethanone
EN300-207810
1-(5-BROMO-4-METHYLTHIOPHEN-2-YL)ETHANONE
A1-07411
859199-06-7
1-(5-bromo-4-methyl-2-thienyl)ethanone;1-(5-Bromo-4-methylthiophen-2-yl)ethanone
1-(5-Bromo-4-methylthiophen-2-yl)ethan-1-one
AKOS016000366
1-(5-bromo-4-methyl-thiophen-2-yl)-ethanone
SCHEMBL45690
Ethanone,1-(5-bromo-4-methyl-2-thienyl)-
DTXSID10670319
CS-0153749
1-(5-Bromo-4-methylthiophen-2-yl)ethanone
1-(5-Bromo-4-chlorothiophen-2-yl)ethanone
2-Acetyl-5-bromo-4-methylthiophene
Ethyl N-Boc-4-(4-methoxybenzyl)piperidine-4-carboxylate
tert-butyl 1-(methoxy(methyl)amino)-1-oxopropan-2-ylcarbamate
QC-158
3-[4-(Trifluoromethyl)phenyl]-1H-pyrazole
EN001192
AK118909
1-(5-bromo-4-methylthien-2-yl)ethanone
1-(5-bromo-4-methyl-2-thiophenyl)ethanone
Ethanone, 1-(5-bromo-4-methyl-

MDL Number

MFCD11110667

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 1-(5-Bromo-4-methyl-2-thienyl)ethanone (CAS: 859199-06-7)?

1-(5-Bromo-4-methyl-2-thienyl)ethanone (CAS: 859199-06-7) is a crystalline solid with a molecular weight of approximately 256.0 g/mol. It is slightly soluble in water but has better solubility in organic solvents like ethanol and acetone. The compound is known for its reactivity towards nucleophiles and its resistance to oxidation. It maintains stability under normal storage conditions but should be handled with care due to its potential reactivity.

How is 1-(5-Bromo-4-methyl-2-thienyl)ethanone (CAS: 859199-06-7) typically synthesized?

1-(5-Bromo-4-methyl-2-thienyl)ethanone (CAS: 859199-06-7) is typically synthesized via the condensation of 4-methylthiophenol with acetyl chloride in the presence of a phase-transfer catalyst. The reaction is carried out under mild conditions, and the yield is around 85%. The use of a suitable catalyst ensures high selectivity and yields a pure product.

What industries use 1-(5-Bromo-4-methyl-2-thienyl)ethanone (CAS: 859199-06-7)?

1-(5-Bromo-4-methyl-2-thienyl)ethanone (CAS: 859199-06-7) is used in the pharmaceutical and polymer industries. It serves as a precursor for the synthesis of various medications and is also incorporated into polymer matrices to enhance their properties. Additionally, it is utilized in the development of sensors and semiconductors due to its unique chemical reactivity.

What precautions should be taken when handling 1-(5-Bromo-4-methyl-2-thienyl)ethanone (CAS: 859199-06-7)?

When handling 1-(5-Bromo-4-methyl-2-thienyl)ethanone (CAS: 859199-06-7), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Material Safety Data Sheet (MSDS) for specific safety guidelines and emergency procedures.