5-Bromo-1H-indazole-3-carboxylic acid

Basic Information

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CAS Number

1077-94-7

Molecular Formula

C8H5BrN2O2

Molecular Weight

241.04 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

Basic Physical Properties

Melting Point

289-292°C

Boiling Point

493.4°C at 760 mmHg

SMILES

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C1=CC2=C(C=C1Br)C(=NN2)C(=O)O

InChI

InChI=1S/C8H5BrN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)

InChIKey

AMJVXOOGGBPVCZ-UHFFFAOYSA-N

LogP

2.0236

Topological Polar Surface Area

65.97999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

224

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

1H-Indazole-3-carboxylic acid, 5-bromo-
G10168
FT-0604115
SY039919
SCHEMBL260615
5-Bromoindazole-3-carboxylic acid
CS-W019742
ADENYLYL(3>5)CYTIDINEFREEACID
MFCD05663979
AC-24733
5-Bromo-1H-indazole-3-carboxylicacid
1H-INDAZOLE-3-CARBOXYLIC ACID,5-BROMO-
5-Bromo-2h-indazole-3-carboxylic acid
DTXSID40428123
AM84330
AMJVXOOGGBPVCZ-UHFFFAOYSA-N
AKOS005144151
A801756
W-204645
5-bromo-1H-indazole-3-carboxylic Acid
1077-94-7
PB23419
BCP23478
5-bromo-1H-indazole-3-carboxylic acid, AldrichCPR
Z1134126538
FS-2930
5-bromanyl-1H-indazole-3-carboxylic acid
EN300-70553
5-Bromo-1H-indazole-3-carboxylic acid
1H-INDAZOLE-3-CARBOXYLIC ACID, 5-BROMO-
5-BROMOINDAZOLE-3-CARBOXYLIC ACID

MDL Number

MFCD05663979

Customs Code

2933990090

FAQ

What is 5-Bromo-1H-indazole-3-carboxylic acid (CAS: 1077-94-7)?

5-Bromo-1H-indazole-3-carboxylic acid (CAS: 1077-94-7) is a chemical compound with the molecular formula C8H5BrNO2. It is a white or off-white solid, soluble in water and organic solvents. This compound is often used in medicinal chemistry and as an intermediate in the synthesis of other organic compounds.

What are the main uses of 5-Bromo-1H-indazole-3-carboxylic acid (CAS: 1077-94-7)?

5-Bromo-1H-indazole-3-carboxylic acid (CAS: 1077-94-7) is primarily used in the pharmaceutical industry as a precursor in the synthesis of drugs. It also serves as a research tool in medicinal chemistry, helping to develop novel therapeutic agents.

Is 5-Bromo-1H-indazole-3-carboxylic acid (CAS: 1077-94-7) safe?

5-Bromo-1H-indazole-3-carboxylic acid (CAS: 1077-94-7) is generally considered safe when handled with proper precautions. It is important to use appropriate personal protective equipment (PPE) such as gloves and goggles. Avoid contact with skin and eyes, and ensure good ventilation during use.

How should 5-Bromo-1H-indazole-3-carboxylic acid (CAS: 1077-94-7) be stored?

5-Bromo-1H-indazole-3-carboxylic acid (CAS: 1077-94-7) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and light absorption. Handle with care to avoid spillage and ensure proper disposal of any waste materials.