Benzofuran, 7-bromo-4-methyl

Basic Information

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CAS Number

799766-13-5

Molecular Formula

C9H7BrO

Molecular Weight

211.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

261.5°C at 760 mmHg

SMILES

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CC1=C2C=COC2=C(C=C1)Br

InChI

InChI=1S/C9H7BrO/c1-6-2-3-8(10)9-7(6)4-5-11-9/h2-5H,1H3

InChIKey

GSSLPAYCQRXDCE-UHFFFAOYSA-N

LogP

3.5037200000000013

Topological Polar Surface Area

13.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

149

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

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

Synonyms & References

English

SY347006
7-Bromo-4-methyl-1-benzofuran
FT-0646565
A51109
Benzofuran, 7-bromo-4-methyl
7-bromo-4-methyl-benzofuran
AKOS015907658
DS-11117
7-bromo-4-methylbenzofuran
GSSLPAYCQRXDCE-UHFFFAOYSA-N
DTXSID20610504
Benzofuran, 7-bromo-4-methyl- (9CI)
799766-13-5
A839796
MFCD11977689
SCHEMBL5153438
ZGB76613
7-Bromo-4-methylbenzofuran
7-bromo-4-methyl-1-benzofuran
Benzofuran,7-bromo-4-methyl-
7-bromanyl-4-methyl-1-benzofuran
7-Bromo-4-methyl-1-benzo[b]furan

MDL Number

MFCD11977689

Customs Code

2932999099

FAQ

What are the physical and chemical properties of Benzofuran, 7-bromo-4-methyl (CAS: 799766-13-5)?

Benzofuran, 7-bromo-4-methyl (CAS: 799766-13-5) is a crystalline solid with a molecular weight of approximately 221.04 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetonitrile. This compound exhibits good thermal stability and moderate reactivity towards nucleophiles and electrophiles, making it useful in various chemical transformations.

How is Benzofuran, 7-bromo-4-methyl (CAS: 799766-13-5) typically synthesized?

Benzofuran, 7-bromo-4-methyl is typically synthesized via the bromination of 4-methylbenzofuran using N-bromosuccinimide (NBS) in an appropriate solvent like dichloromethane. The reaction is promoted by light or heat, and the yield can be up to 80% with good selectivity towards the brominated product.

What industries use Benzofuran, 7-bromo-4-methyl (CAS: 799766-13-5)?

Benzofuran, 7-bromo-4-methyl (CAS: 799766-13-5) is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds applications in the production of organic semiconductors and as a precursor in polymer chemistry. Additionally, it is employed in the development of chemical sensors and related materials.

What precautions should be taken when handling Benzofuran, 7-bromo-4-methyl (CAS: 799766-13-5)?

When handling Benzofuran, 7-bromo-4-methyl (CAS: 799766-13-5), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or fume hood to minimize exposure. Spills should be handled with caution using appropriate absorbents, and the area should be thoroughly cleaned. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal.