Methyl 5-bromo-1H-pyrrole-2-carboxylate

Basic Information

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CAS Number

934-07-6

Molecular Formula

C6H6BrNO2

Molecular Weight

204.02 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

SMILES

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COC(=O)C1=CC=C(N1)Br

InChI

InChI=1S/C6H6BrNO2/c1-10-6(9)4-2-3-5(7)8-4/h2-3,8H,1H3

InChIKey

ZYBOXSDTMZRWBC-UHFFFAOYSA-N

LogP

1.5637999999999999

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

140

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

METHYL 5-BROMOPYRROLE-2-CARBOXYLATE
Methyl5-bromo-1H-pyrrole-2-carboxylate
CS-W006646
FS-3363
AM804571
EN300-107218
1H-Pyrrole-2-carboxylic acid,5-bromo,methyl ester
AC-25502
Z1269211284
SCHEMBL1422544
1H-Pyrrole-2-carboxylic acid, 5-bromo-, methyl ester
MFCD09801030
FT-0730454
ZYBOXSDTMZRWBC-UHFFFAOYSA-N
934-07-6
Methyl 5-bromo-1H-pyrrole-2-carboxylate
AKOS015920458
SY037210
1H-Pyrrole-2-carboxylic acid, 5-bromo,methyl ester
A859798
DTXSID30469242
5-BROMO-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER
MB07693
5-bromo-1H-Pyrrole-2-carboxylic acid methyl ester
Methyl 5-bromopyrrole-2-carboxylate
AMOT0128
AB0027740
ST24031127
W9608
1H-Pyrrole
Pyrrole-2-carboxylic acid, 5-bromo-, methyl ester (7CI, 8CI)

MDL Number

MFCD09801030

Customs Code

2933990090

FAQ

What is Methyl 5-bromo-1H-pyrrole-2-carboxylate (CAS: 934-07-6)?

Methyl 5-bromo-1H-pyrrole-2-carboxylate (CAS: 934-07-6) is an organic compound with the chemical formula C8H7BrNO2. It is a white solid with a density of approximately 1.59 g/cm³ and a melting point of around 84-86°C. It is used in the synthesis of various pharmaceuticals and as a reagent in chemical research.

What are the main uses of Methyl 5-bromo-1H-pyrrole-2-carboxylate (CAS: 934-07-6)?

Methyl 5-bromo-1H-pyrrole-2-carboxylate (CAS: 934-07-6) is primarily used in pharmaceuticals for the synthesis of therapeutic agents. It is also employed in chemical research as a key intermediate in various organic synthesis reactions.

Is Methyl 5-bromo-1H-pyrrole-2-carboxylate (CAS: 934-07-6) safe?

Methyl 5-bromo-1H-pyrrole-2-carboxylate (CAS: 934-07-6) is generally safe when handled with appropriate precautions. Users should avoid contact with skin and eyes. It should be stored in a cool, dry place away from direct sunlight and sources of ignition. Proper personal protective equipment (PPE) should be worn during handling.

How should Methyl 5-bromo-1H-pyrrole-2-carboxylate (CAS: 934-07-6) be stored?

Methyl 5-bromo-1H-pyrrole-2-carboxylate (CAS: 934-07-6) should be stored in a cool, dry place with a temperature range of 10-30°C and a relative humidity below 60%. It should be kept in a well-ventilated area away from direct sunlight and sources of ignition. The compound should be stored in a sealed container to prevent moisture absorption.