2-Chloro-5-Iodo benzoic acid

CAS Number: 19904-56-5

Molecular Formula: C7H4ClIO2

Halogenated aromatic carboxylic acidEmpagliflozin intermediate supplierHigh-Precision Pharmaceutical Building Block

Synonyms

null
C7H4ClIO2
AC1LASRN
ACMC-209eug
Empagliflozin Impurity 54

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2-Chloro-5-Iodo benzoic acid Specifications

CAS Number

19904-56-5

Molecular Formula

C7H4ClIO2

Molecular Weight

282.46 g/mol

IUPAC Name

2-chloro-5-iodobenzoic acid

Canonical SMILES

C1=CC(=C(C=C1I)C(=O)O)Cl

InChI Key

GEBYSTBEDVQOTK-UHFFFAOYSA-N

EINECS Number

606-224-0

CAS Number

19904-56-5

Molecular Formula

C7H4ClIO2

Molecular Weight

282.46 g/mol

IUPAC Name

2-chloro-5-iodobenzoic acid

Canonical SMILES

C1=CC(=C(C=C1I)C(=O)O)Cl

InChI Key

GEBYSTBEDVQOTK-UHFFFAOYSA-N

EINECS Number

606-224-0

Molecular Weight

282.46 g/mol

Density

2.077

Melting point

157-161℃

Boiling point

353.1°Cat760mmHg

Refractive index

1.673 2.1

Flash Point

167.4°C

Vapour Pressure

0.0±0.8 mmHg at 25°C

Risk Statements Code

R25;R41;R50/53

Safety Statements Code

S26;S39;S45;S60;S61

Precautionary Statements Code

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

Pharmaceutical API Synthesis

The critical KSM of Empagliflozin and other gliflozin-class medications

Agrochemical Development

Used as a scaffold for next-generation herbicides and fungicides that require specific halogen substitution patterns for bioactivity

Organic Synthesis Research

Preferrence for academic and industrial researchers exploring the kinetics of selective halogen-metal exchange and carboxyl-directed C-H activation

Materials Science

Building block for specialized liquid crystals and organic light-emitting diode (OLED) dopants where high atomic weight atoms (Iodine) are required to tune electronic properties.