Methyl 3-bromo-1H-indole-6-carboxylate

Basic Information

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CAS Number

860457-92-7

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

386.161°C at 760 mmHg

Density

1.629

Flash Point

187.344℃

Refractive Index

1.666

SMILES

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COC(=O)c1ccc2c(Br)c[nH]c2c1

InChI

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

InChIKey

YSCNGZSJIYDSOC-UHFFFAOYSA-N

LogP

2.7170000000000005

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

234

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

Methyl 3-bromoindole-6-carboxylate
3-bromo-1H-Indole-6-carboxylic acid methyl ester
methyl 3-bromo-1H-indole-6-carboxylate
METHYL3-BROMOINDOLE-6-CARBOXYLATE
SB15316
TRA0034625
FCH1402825
SY006255
AB1000731
AB0027055
W8842
ST24031034

MDL Number

MFCD11111848

Customs Code

2933990090

FAQ

What regulatory guidelines apply to Methyl 3-bromo-1H-indole-6-carboxylate (CAS: 860457-92-7)?

Methyl 3-bromo-1H-indole-6-carboxylate (CAS: 860457-92-7) is subject to various regulatory guidelines including the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the EU, and FDA/EPA requirements for chemical safety and environmental protection. It is important to consult the latest regulatory databases and guidelines for specific compliance details.

Are there alternatives to Methyl 3-bromo-1H-indole-6-carboxylate in synthesis (CAS: 860457-92-7)?

There are alternatives to Methyl 3-bromo-1H-indole-6-carboxylate in synthesis, such as using isomers or analogs like methyl 3-iodo-1H-indole-6-carboxylate or methyl 3-chloro-1H-indole-6-carboxylate. These alternatives can be explored based on specific synthetic requirements and availability.

What is the market or research trend for Methyl 3-bromo-1H-indole-6-carboxylate (CAS: 860457-92-7)?

The market for Methyl 3-bromo-1H-indole-6-carboxylate (CAS: 860457-92-7) shows growing interest in its use as a starting material in medicinal and organic chemistry research. Recent trends indicate increasing demand in the pharmaceutical industry for novel drug discovery and synthesis of complex organic molecules.

How should waste containing Methyl 3-bromo-1H-indole-6-carboxylate (CAS: 860457-92-7) be handled?

Waste containing Methyl 3-bromo-1H-indole-6-carboxylate (CAS: 860457-92-7) should be collected and disposed of according to local regulations. Typically, this involves neutralization to reduce toxicity, followed by incineration or professional waste disposal services that comply with environmental protection standards. Always consult local environmental authorities for specific guidelines.