4-Chlorotoluene-2-sulphonyl chloride

HCID 100415

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Basic information

CAS: 34981-38-9
Standard SMILES: Cc1ccc(Cl)cc1S(=O)(=O)Cl
InChIKey: VHBFBNCERXCECQ-UHFFFAOYSA-N
Molecular formula: C7H6Cl2O2S
Average molar mass: 225.09 g/mol
Monoisotopic mass: 223.94655579

Names & identifiers

Preferred name: 4-Chlorotoluene-2-sulphonyl chloride
IUPAC: 5-chloro-2-methylbenzenesulfonyl chloride
English name: 4-chlorotoluene-2-sulphonyl chloride
Molecular formula: C7H6Cl2O2S
Molecular weight: 225.09

Names & synonyms

4-Chlorotoluene-2-sulphonyl chlorideEINECS 252-306-0Benzenesulfonyl chloride, 5-chloro-2-methyl-DTXSID50188524NSC 295387RefChem:522102DTXCID10111015252-306-034981-38-95-chloro-2-methylbenzenesulfonyl chloride5-Chloro-2-methylbenzene-1-sulfonyl chloride2-Chlorosulfonyl-4-chlorotoluene

Show more names

5-chloro-2-Methylbenzenesulphonyl chloride5-chloro-2-methylbenzene-1-sulfonyl chloride5-chloro-2-toluene-1-sulfonyl chloride

MFCD09742738NSC-295387NSC2953875-Chloro-2-MethylbenzenesulfonylchlorideSPN22LB9FSSCHEMBL3932613AKOS000149998o-Toluenesulfonyl chloride, 5-chloro-

Database identifiers

CAS: 34981-38-9
PubChem CID: 100415
DTXSID: DTXSID50188524
UNII: SPN22LB9FS
EC Number: 252-306-0
Nikkaji: J289.873J

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 245

Physicochemical properties

refractive index: 1.5697 · 1.5697
storage temp.: 2 · 2-8°C
Appearance: Colorless to light yellow Liquid
Water Solubility: Slightly soluble in water.
FDA UNII: 22 LB9FS · SPN22LB9FS
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 280 · P280-P305+P351+P338-P309-P310
HazardClass: 8 · 8

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05
hazard_class: 8
Hazard statements: H314-H318
Precautionary statements: P280-P305+P351+P338-P309-P310

Chemistry & industry

Applications

Uses5-Chloro-2-methylbenzenesulfonyl chloride is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.