5-(4-Bromophenyl)-3-methylisoxazole-4-carboxylic acid

Basic Information

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CAS Number

91182-60-4

Molecular Formula

C11H8BrNO3

Molecular Weight

282.09 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

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

192-200°C

Boiling Point

409 ºC

Density

1.605

Flash Point

201 ºC

SMILES

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CC1=NOC(=C1C(=O)O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H8BrNO3/c1-6-9(11(14)15)10(16-13-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)

InChIKey

GFLKZFOUAHOGJF-UHFFFAOYSA-N

LogP

3.1107200000000015

Topological Polar Surface Area

63.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

266

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-(4-Bromophenyl)-3-methylisoxazole-4-carboxylic acid
5-(4-bromophenyl)-3-methyl-4-Isoxazolecarboxylic acid
5-(4-Bromo-phenyl)-3-methyl-isoxazole-4-carboxylic acid
5-(p-Bromophenyl)-3-methyl-4-isoxazolecarboxylic acid
4-Isoxazolecarboxylic acid, 5-(4-bromophenyl)-3-methyl-
5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
AK117885
GFLKZFOUAHOGJF-UHFFFAOYSA-N
SB18059
OR346232
AX8243985
4-Isoxazolecarboxylic acid, 5-(p-bromophenyl)-3-methyl- (7CI)
5-(4-Bromophenyl)-3-methyl-4-isoxazolecarboxylic acid (ACI)
(4-Bromophenyl)-3-methylisoxazole-4-carboxylic acid
SY066129
DTXSID80717826
DB-023591
91182-60-4
SCHEMBL1563
5-(4-Bromophenyl)-3-methylisoxazole-4-carboxylicacid
CS-M1999
AS-5270
AKOS015835662
MFCD16447083

MDL Number

MFCD16447083

FAQ

What is 5-(4-Bromophenyl)-3-methylisoxazole-4-carboxylic acid (CAS: 91182-60-4)?

5-(4-Bromophenyl)-3-methylisoxazole-4-carboxylic acid (CAS: 91182-60-4) is a chemical compound with a molecular structure that includes a bromophenyl group, a methyl substituent, and a carboxylic acid functional group. This compound is typically white or off-white in color and has a molecular formula of C13H10BrNO2. It is used in various applications, including pharmaceuticals and research.

What are the main uses of 5-(4-Bromophenyl)-3-methylisoxazole-4-carboxylic acid (CAS: 91182-60-4)?

5-(4-Bromophenyl)-3-methylisoxazole-4-carboxylic acid (CAS: 91182-60-4) is primarily used in pharmaceutical research and development, particularly in the synthesis of medicinal compounds. It may also find applications in analytical chemistry and as a reagent in organic synthesis.

Is 5-(4-Bromophenyl)-3-methylisoxazole-4-carboxylic acid (CAS: 91182-60-4) safe?

5-(4-Bromophenyl)-3-methylisoxazole-4-carboxylic acid (CAS: 91182-60-4) is generally safe when handled with proper precautions. However, it should be stored in a cool, dry place away from direct sunlight and heat sources. Protective measures include using appropriate personal protective equipment (PPE) such as gloves and goggles.

How should 5-(4-Bromophenyl)-3-methylisoxazole-4-carboxylic acid (CAS: 91182-60-4) be stored?

5-(4-Bromophenyl)-3-methylisoxazole-4-carboxylic acid (CAS: 91182-60-4) should be stored in a tightly sealed container, away from direct sunlight and heat sources. Optimal storage conditions include a temperature range between 15-25°C and a relative humidity below 60%. Keep out of reach of children and ensure proper ventilation.