5-Chloro-p-xylene-2-sulphonyl chloride

HCID 66618

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 88-49-3
Standard SMILES: Cc1cc(S(=O)(=O)Cl)c(C)cc1Cl
InChIKey: JBYZPUBAISWVDI-UHFFFAOYSA-N
Molecular formula: C8H8Cl2O2S
Average molar mass: 239.12 g/mol
Monoisotopic mass: 237.96220586

Names & identifiers

Preferred name: 5-Chloro-p-xylene-2-sulphonyl chloride
IUPAC: 4-chloro-2,5-dimethylbenzenesulfonyl chloride
English name: 4-Chloro-2,5-dimethylbenzenesulfonyl chloride
Molecular formula: C8H8Cl2O2S
Molecular weight: 239.12

Names & synonyms

88-49-34-chloro-2,5-dimethylbenzenesulfonyl chloride5-Chloro-p-xylene-2-sulphonyl chlorideEINECS 201-835-5DTXSID80236749RefChem:534943DTXCID60159240201-835-54-chloro-2,5-dimethylbenzene-1-sulfonyl chlorideBenzenesulfonylchloride, 4-chloro-2,5-dimethyl-MFCD000440174-chloro-2,5-dimethyl-benzenesulfonyl chloride

Show more names

ORO-2,5-DIMETHYLBENZENESULFONYL CHLORIDE4-CHLORO-2,5-DIMETHYLBENZENESULPHONYL CHLORIDE4-CHLORO-2,5-DIMETHYLBENZENESULFONYL CHLORIDE4-CHLORO-2,5-DIMETHYLBENZENESULPHONYL CHLORIDE

chloro(4-chloro-2,5-dimethylphenyl)sulfone4-Chloro-2,5-dimethylbenzenesulfonylchlorideFY2BCA5XT7Benzenesulfonyl chloride, 4-chloro-2,5-dimethyl-SCHEMBL152556SCHEMBL29707985AAA08849SBB066486

Database identifiers

CAS: 88-49-3
PubChem CID: 66618
DTXSID: DTXSID80236749
UNII: FY2BCA5XT7
EC Number: 201-835-5
Nikkaji: J192.656J

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 270

Physicochemical properties

Melting point: 48 °C · 48 °C
Boiling point: 317.5 · 317.5±42.0 °C(Predicted)
Density: 1.401 · 1.401±0.06 g/cm3(Predicted)
Sensitive: Moisture Sensitive
BRN: 2838165 · 2838165
CAS DataBase Reference: 88 · 88-49-3(CAS DataBase Reference)
FDA UNII: 2 BCA5XT7 · FY2BCA5XT7
Symbol(GHS): 5 · GHS05
Signal word: Warning
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: Xi,C
Risk Statements: 34 · 34-36
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · 3261
HazardClass: 8 · 8
PackingGroup: II

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 6 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

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

Safety data

ridadr: 3261
risk_code: 34-36
Signal word: Warning
Symbol(GHS): GHS05
hazard_code: Xi,C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard statements: H314-H318
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a