2-Chloro-5-chlorosulfonyl-benzoic acid - ≥98% , CAS No.137-64-4

CAS: 137-64-4 Cat. No.: C181366 Molecular Weight: 255.1 EC Number: 205-303-3

GRADE & PURITY ≥98%

Synonyms

EINECS 205-303-3 | 2-chloro-5-chlorosulfonyl benzoic acid | BS-13908 | DTXSID4059677 | NSC137839 | NSC-137839 | AB01450 | 2-Chloro-5-chlorosulphonylbenzoic acid | 2-chloro-5-chlorosulfonylbenzoic acid | 2-chloro-5-chlorosulfonyl-benzoic acid | 2-Chloro-5-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

2-Chloro-5-chlorosulfonylbenzoic Acid (cas# 137-64-4) is a compound useful in organic synthesis.

Specifications

Synonyms

EINECS 205-303-3 | 2-chloro-5-chlorosulfonyl benzoic acid | BS-13908 | DTXSID4059677 | NSC137839 | NSC-137839 | AB01450 | 2-Chloro-5-chlorosulphonylbenzoic acid | 2-chloro-5-chlorosulfonylbenzoic acid | 2-chloro-5-chlorosulfonyl-benzoic acid | 2-Chloro-5-

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488183924
• Canonical Smiles: C1=CC(=C(C=C1S(=O)(=O)Cl)C(=O)O)Cl
• IUPAC Name: 2-chloro-5-chlorosulfonylbenzoic acid
• InChIKey: CLHNTBSDCJLCKV-UHFFFAOYSA-N
• INCHI: 1S/C7H4Cl2O4S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3H,(H,10,11)
• Isomeric SMILES: C1=CC(=C(C=C1S(=O)(=O)Cl)C(=O)O)Cl
• Molecular Weight: 255.1
• Reaxy-Rn: 2731903
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2731903&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds
        • Level5 Benzenesulfonyl halides
          • Level6 Benzenesulfonyl chlorides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Benzenesulfonyl halides
• Direct Parent: Benzenesulfonyl chlorides
• Alternative Parents: 2-halobenzoic acids Halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Monocarboxylic acids and derivatives Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl chloride - Halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - 1-carboxy-2-haloaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonyl chlorides. These are aromatic compounds containing a benzenesulfonyl group, where the sulfonyl moiety is singly boned to a chloride atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y