Methyl 4-bromo-1H-indole-6-carboxylate

Basic Information

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CAS Number

882679-96-1

Molecular Formula

C10H8BrNO2

Molecular Weight

254.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Boiling Point

382.6°C at 760 mmHg

Density

1.629±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

185.2°C

Refractive Index

1.666

SMILES

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COC(=O)C1=CC2=C(C=CN2)C(=C1)Br

InChI

InChI=1S/C10H8BrNO2/c1-14-10(13)6-4-8(11)7-2-3-12-9(7)5-6/h2-5,12H,1H3

InChIKey

BHADJPVQZXGIFH-UHFFFAOYSA-N

LogP

2.7170000000000005

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

234

Synonyms & References

English

Methyl 4-bromo-1H-indole-6-carboxylate
1H-Indole-6-carboxylic acid, 4-broMo-, Methyl ester
4-Amino-6-methylcarboxylateindole
4-Bromo-6-indolecarboxylic acid methyl ester
4-Bromoindole-6-carboxylic acid methyl ester
4-bromo-1H-indole-6-carboxylic acid methyl ester
METHYL 4-BROMO-6-INDOLECARBOXYLATE
METHYL 4-BROMOINDOLE-6-CARBOXYLATE
AK102158
Methyl 4-bromoindole-6-carboxyate
4-BROMO INDOLE-6-CARBOXYLIC ACID METHYL ESTER
BHADJPVQZXGIFH-UHFFFAOYSA-N
methyl 4-bromo-indole-6-carboxylate
PB27620
FCH1335528
METHYL 4
methyl 4-bromo-1H-indole-6-carboxylate
882679-96-1
MFCD03867040
SCHEMBL3546474
Methyl4-bromo-1H-indole-6-carboxylate
AS-68719
SY035885
DTXSID50646098
CS-W022843
AKOS015961674
4-Bromo-1H-indole-6-carboxylic acid methyl ester

MDL Number

MFCD03867040

Customs Code

2933990090

FAQ

What regulatory guidelines apply to Methyl 4-bromo-1H-indole-6-carboxylate (CAS: 882679-96-1)?

Methyl 4-bromo-1H-indole-6-carboxylate (CAS: 882679-96-1) requires adherence to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA/EPA requirements for safety and environmental protection. Specific handling and disposal guidelines must be followed to ensure compliance with these regulations.

Are there alternatives to Methyl 4-bromo-1H-indole-6-carboxylate (CAS: 882679-96-1) in synthesis?

Alternative reagents like methyl 4-methoxy-1H-indole-6-carboxylate or methyl 4-fluoro-1H-indole-6-carboxylate can be used as substitutes in synthesis processes. These alternatives offer similar functionality but with different physical and chemical properties, depending on the specific reaction conditions required.

What is the market or research trend for Methyl 4-bromo-1H-indole-6-carboxylate (CAS: 882679-96-1)?

The market for Methyl 4-bromo-1H-indole-6-carboxylate (CAS: 882679-96-1) is growing with increasing interest in its use as a key intermediate in pharmaceuticals and agrochemicals. Research trends focus on its application in developing novel drugs and pesticides, driven by its unique structural characteristics and reactivity.

How should waste containing Methyl 4-bromo-1H-indole-6-carboxylate (CAS: 882679-96-1) be handled?

Waste containing Methyl 4-bromo-1H-indole-6-carboxylate (CAS: 882679-96-1) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration may be necessary for complete destruction, and strict environmental protection measures must be implemented to prevent contamination during disposal and transportation.