4-chloro acetophenone

CAS Number: 99-91-2

Molecular Formula: C8H7ClO

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About 4-chloro acetophenone

4'-Chloroacetophenone (CAS 99-91-2) serves as a critical building block within the domestic API intermediates market, where the rising trajectory of U.S.-based CDMO growth necessitates high purity fine chemicals at 99% pharma grade to ensure the structural integrity of complex CNS-targeting and anti-inflammatory therap...

4-chloro acetophenone Specifications

CAS Number

99-91-2

Molecular Formula

C8H7ClO

Molecular Weight

154.59 g/mol

IUPAC Name

1-(4-chlorophenyl)ethanone

Canonical SMILES

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

InChI Key

BUZYGTVTZYSBCU-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3

EINECS Number

202-800-7

MDL Number

MFCD00000624

HSN No

29147990

CAS Number

99-91-2

Molecular Formula

C8H7ClO

Molecular Weight

154.59 g/mol

IUPAC Name

1-(4-chlorophenyl)ethanone

Canonical SMILES

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

InChI Key

BUZYGTVTZYSBCU-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3

EINECS Number

202-800-7

MDL Number

MFCD00000624

HSN No

29147990

Molecular Weight

154.59 g/mol

Melting Point

14-21°C

Boiling Point

232 °C (lit.)

Freezing point

14-18 °C

Flash Point

90 °C

Density

1.192 g/mL at 25 °C (lit.)

PSA

17.1 Å²

logP

2.32

Average mass

154.59 g/mol

Monoisotopic mass

154.018542557 Da

Molar mass

154.59 g/mol

Vapour pressure

8 mmHg (90 °C)

Precautionary Statement Codes

P264, P270, P280, P301+P317, P305+P351+P338, P330, and P337+P317

Hazard Classes and Categories

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

Pharmaceutical Development

4-chloro acetophenone serves as a key building block and intermediate in the synthesis of various active pharmaceutical ingredients, including the production of mandelic acid derivatives and other medicinal compounds

Chemical Synthesis & Materials Science

This compound is utilized as a versatile reagent in organic synthesis for creating complex molecules and serves as a building block for liquid crystal materials and fine chemicals

Industrial Applications

It is employed in the formulation of fragrances and flavoring agents for the cosmetic and food sectors, and is used in the production of fluorescent brighteners and specialized agrochemicals.