4-Bromo-1H-pyrrole-2-carboxylic acid

Basic Information

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CAS Number

27746-02-7

Molecular Formula

C5H4BrNO2

Molecular Weight

190 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Physical State

Yellow to Brown Solid

Melting Point

183-189 °C

Boiling Point

393°C at 760 mmHg

SMILES

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C1=C(NC=C1Br)C(=O)O

InChI

InChI=1S/C5H4BrNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)

InChIKey

YUWKEVJEMKKVGQ-UHFFFAOYSA-N

LogP

1.4753999999999998

Topological Polar Surface Area

53.089999999999996 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

128

Safety Information

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Hazard Statement

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

27746-02-7
SCHEMBL1928760
EN300-14260
AKOS001108081
CS-D0459
MFCD00832862
J-514553
[(1-methylpiperidin-4-yl)methyl]amine
1H-Pyrrole-2-carboxylic acid, 4-bromo-;4-Bromopyrrole-2-carboxylic acid
1H-Pyrrole-2-carboxylicacid,4-bromo-
CL2806
4-Bromo-1H-pyrrole-2-carboxylicacid
BCP29213
FT-0638720
4-bromo-1H-pyrrole-2-carboxylic Acid
InChI=1/C5H4BrNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9
4-Bromopyrrole-2-carboxylic acid, 95%
AC-23216
Z99599696
1H-Pyrrole-2-carboxylic acid, 4-bromo-
DTXSID30372424
SB62044
HB-0734
AM20090350
SY110044
4-Bromopyrrole-2-carboxylic acid
YUWKEVJEMKKVGQ-UHFFFAOYSA-N
4-Bromo-1H-pyrrole-2-carboxylic acid
4-BROMOPYRROLE-2-CARBOXYLIC ACID
KSC207A8H
SBB091024

MDL Number

MFCD00832862

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-Bromo-1H-pyrrole-2-carboxylic acid (CAS: 27746-02-7)?

4-Bromo-1H-pyrrole-2-carboxylic acid is a crystalline solid with a molecular weight of approximately 207.02 g/mol. It is slightly soluble in water and has a pKa of around 2.0. This compound is reactive, particularly towards nucleophiles, and can undergo bromination and esterification reactions.

How is 4-Bromo-1H-pyrrole-2-carboxylic acid (CAS: 27746-02-7) typically synthesized?

4-Bromo-1H-pyrrole-2-carboxylic acid can be synthesized through bromination of 1H-pyrrole-2-carboxylic acid using N-bromosuccinimide (NBS) in an appropriate solvent like dichloromethane under light or heat. The reaction typically yields a mixture that can be purified by recrystallization or chromatography.

What industries use 4-Bromo-1H-pyrrole-2-carboxylic acid (CAS: 27746-02-7)?

4-Bromo-1H-pyrrole-2-carboxylic acid is primarily used in the pharmaceutical industry for the synthesis of novel drug candidates, as well as in the polymer industry for the development of advanced materials. It also finds applications in sensor technology and semiconductor manufacturing due to its unique chemical properties.

What precautions should be taken when handling 4-Bromo-1H-pyrrole-2-carboxylic acid (CAS: 27746-02-7)?

When handling 4-Bromo-1H-pyrrole-2-carboxylic acid, it is crucial to use appropriate personal protective equipment (PPE), including gloves and safety goggles. This compound should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of spill, it should be handled using appropriate spill kits and safety protocols. Always refer to the Material Safety Data Sheet (MSDS) for detailed information and emergency procedures.