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Home > Encyclopedia > 2-[4-Chloro-3-(chlorosulfonyl)benzoyl]benzoic acid

2-[4-Chloro-3-(chlorosulfonyl)benzoyl]benzoic acid

2-[4-Chloro-3-(chlorosulfonyl)benzoyl]benzoic acid structure

2-[4-Chloro-3-(chlorosulfonyl)benzoyl]benzoic acid 

structure
  • CAS No:

    68592-12-1

  • Formula:

    C14H8Cl2O5S

  • Chemical Name:

    2-[4-Chloro-3-(chlorosulfonyl)benzoyl]benzoic acid

  • Synonyms:

    Benzoic acid,2-[4-chloro-3-(chlorosulfonyl)benzoyl]-;Benzoic acid,o-[4-chloro-3-(chlorosulfonyl)benzoyl]-;2-[4-Chloro-3-(chlorosulfonyl)benzoyl]benzoic acid

2-[4-Chloro-3-(chlorosulfonyl)benzoyl]benzoic acid Basic Attributes

359.18132

359.18

271-616-7

2918300090

Characteristics

96.9

2.96

1.6±0.1 g/cm3

178-182 °C

584.5±50.0 °C at 760 mmHg

307.3±30.1 °C

1.626

Safety Information

P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, P501

H302

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 6 companies from 1 notifications to the ECHA C&L Inventory.

2-[4-Chloro-3-(chlorosulfonyl)benzoyl]benzoic acid Use and Manufacturing

Methods of Manufacturing

Condensation of phthalic anhydride and chlorobenzene with the participation of anhydrous aluminum trichloride to produce 2-(p-chlorobenzoyl)benzoic acid, which is then nitrated with mixed acid and reduced to obtain 2-(3-amino-4-chloro) Benzoyl) benzoic acid. Diazotizing the latter with sodium nitrite and replacing chlorination with sulfur dioxide and chlorine to prepare the product.

Uses

Intermediate of chlorthalidone.

Computed Properties

Molecular Weight:359.2
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:357.9469499
Monoisotopic Mass:357.9469499
Topological Polar Surface Area:96.9
Heavy Atom Count:22
Complexity:542
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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