Methyl 5-bromo-1H-indole-3-carboxylate

Basic Information

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CAS Number

773873-77-1

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

Melting Point

219-221°C

Boiling Point

386.2°C at 760 mmHg

SMILES

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COC(=O)C1=CNC2=C1C=C(C=C2)Br

InChI

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

InChIKey

MFOKOKHNSVUKON-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-5-bromo-1h-indole-3-carboxylate
5-Bromo-1H-Indole-3-carboxylic acid methyl ester
Methyl 5-Bromoindole-3-carboxylate
AKOS015834483
SB15235
AM20041156
773873-77-1
MFOKOKHNSVUKON-UHFFFAOYSA-N
SY058804
SCHEMBL498070
EN300-7361302
A15801
Methyl 5-bromo-1H-indole-3-carboxylate
AB1513
AS-18546
CHEMBL4877114
J-522439
DTXSID00301206
CS-W006169
BCP27221
Methyl5-bromo-1H-indole-3-carboxylate
BDBM50577603
FT-0649038
Z210097744
MFCD06203728
1H-Indole-3-carboxylicacid, 5-bromo-, methyl ester
5-bromo-1H-Indole-3-carboxylic acid methyl ester
Methyl 5-BroMoindole-3-carboxylate
PubChem14866
KSC495A9D
5-BROMO-1H-INDOLE-3-CARBOXYLICACIDMETHYLESTER

MDL Number

MFCD06203728

FAQ

What is Methyl 5-bromo-1H-indole-3-carboxylate (CAS: 773873-77-1)?

Methyl 5-bromo-1H-indole-3-carboxylate (CAS: 773873-77-1) is a chemical compound with the molecular formula C12H10BrNO2. It is a brominated indole derivative, characterized by its aromatic and basic properties. This compound is used in pharmaceutical and medicinal chemistry for the synthesis of biological active molecules.

What are the main uses of Methyl 5-bromo-1H-indole-3-carboxylate (CAS: 773873-77-1)?

Methyl 5-bromo-1H-indole-3-carboxylate (CAS: 773873-77-1) is primarily used in the pharmaceutical and medicinal chemistry fields. It serves as a key intermediate in the synthesis of various bioactive compounds, particularly in the development of new drugs.

Is Methyl 5-bromo-1H-indole-3-carboxylate (CAS: 773873-77-1) safe?

Methyl 5-bromo-1H-indole-3-carboxylate (CAS: 773873-77-1) is generally safe when handled with appropriate precautions. It is important to follow safety guidelines, such as wearing personal protective equipment (PPE) and avoiding inhalation of fumes. Storage and handling should be carried out in a fume hood.

How should Methyl 5-bromo-1H-indole-3-carboxylate (CAS: 773873-77-1) be stored?

Methyl 5-bromo-1H-indole-3-carboxylate (CAS: 773873-77-1) should be stored in a cool, dry place, protected from light and moisture. Store it in a tightly sealed container to prevent degradation. Maintain a temperature below 25°C to ensure stability.