3-Bromo-2-fluoroaniline

CAS Number: 58534-95-5

Molecular Formula: C6H5BrFN

Purity: 3-Bromo-2-fluoroaniline 98% purity

3-Bromo-2-fluoroaniline supplierbuy 58534-95-5 onlinepharmaceutical grade 3-bromo-2-fluoroaniline3-bromo-2-fluoroaniline price per kgKRASG12C inhibitor synthesis intermediatehigh purity fluorinated building blocks

About 3-Bromo-2-fluoroaniline

3-Bromo-2-fluoroaniline (CAS 58534-95-5) is increasingly recognized as a critical high purity fine chemical within the United States API intermediates market, where its specific halogenation pattern is leveraged by major domestic CDMOs to enhance the metabolic stability of next-generation kinase inhibitors and neurolog...

Synonyms

3-Bromo-2-fluoroaniline
58534-95-5
3-bromo-2-fluorophenylamine
MFCD09864700
3-Brome-2-fluoroaniline

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3-Bromo-2-fluoroaniline Specifications

CAS Number

58534-95-5

Molecular Formula

C6H5BrFN

Molecular Weight

190.01 g/mol

IUPAC Name

3-bromo-2-fluoroaniline

Canonical SMILES

C1=CC(=C(C(=C1)Br)F)N

InChI Key

HYPQOSVTIONWSN-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrFN/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2

EINECS Number

820-692-5

MDL Number

MFCD09864700

HSN No

29214300

CAS Number

58534-95-5

Molecular Formula

C6H5BrFN

Molecular Weight

190.01 g/mol

IUPAC Name

3-bromo-2-fluoroaniline

Canonical SMILES

C1=CC(=C(C(=C1)Br)F)N

InChI Key

HYPQOSVTIONWSN-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrFN/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2

EINECS Number

820-692-5

MDL Number

MFCD09864700

HSN No

29214300

Molecular Weight

190.01 g/mol

Purity

3-Bromo-2-fluoroaniline 98% purity

Melting Point

27.0-34.0 °C

Boiling Point

228 °C

Freezing point

34 - 36 °C

Flash Point

91 °C

Density

1.694 g/cm3

PSA

26 Å²

logP

2.1704

Average mass

190.01 g/mol

Monoisotopic mass

188.95894 Da

Molar mass

190.01 g/mol

Precautionary Statement Codes

P261, P264, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P330, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

Acute Tox. 4 (100%) Skin Irrit. 2 (100%)

Pharmaceutical Intermediate

An important building block utilized in the synthesis of KRASG12C inhibitors with antitumour activity for the development of anticancer drugs

Organic Synthesis Building Block

A versatile functionalized aniline derivative bearing reactive bromine and fluorine atoms used as a starting material for palladium-catalyzed cross-coupling reactions and the construction of complex fluorinated molecules

Chemical Research Reagent

A high-purity intermediate employed in the preparation of heterotricyclic carboxamides acting as RIG-1 agonists for the treatment of cell proliferation disorders