CAS 80563-86-6 3-Chloro-2-methylbenzenesulfonyl chloride (HCID 522734)

Names & identifiers

Preferred name: 3-Chloro-2-methylbenzenesulfonyl chloride
IUPAC: 3-chloro-2-methylbenzenesulfonyl chloride
English name: 3-CHLORO-2-METHYLBENZENESULFONYL CHLORIDE
Molecular formula: C7H6Cl2O2S
Molecular weight: 225.09

Names & synonyms

3-Chloro-2-methylbenzenesulfonyl chloride80563-86-63-chloro-2-methylbenzene-1-sulfonyl chlorideDTXSID90335050RefChem:499801DTXCID90286139626-743-63-Chloro-2-Methylbenzenesulphonyl chlorideMFCD000521983-Chloro-2-Methyl-Benzenesulfonyl Chloridechloro(3-chloro-2-methylphenyl)sulfone3-CHLORO-2-METHYLBENZENESULFONYLCHLORIDE

Show more names

BUTTPARK 37\11-613-Chloro-o-toluenesulfonylchloride2-Chloro-6-(chlorosulphonyl)toluene3-Chloro-o-toluenesulphonyl chloride3-Chloro-2-methylbenzenesulfonylhlorideC**3-Chloro-2-methyl-benzenesulfonyl chl3-CHLORO-2-METHYLBENZENESULFONYL CHLORID

SCHEMBL350041ALBB-001006BBL017937SBB046743STK502399AKOS0051710053-chloro-2-methylbenzenesulfonylchoride3-chloro-2-methylphenylsulfonyl chloride

Database identifiers

CAS: 80563-86-6
PubChem CID: 522734
DTXSID: DTXSID90335050
EC Number: 626-743-6
Nikkaji: J307.785C

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

Melting point: 71 · 71-74 °C (lit.)
Boiling point: 312.6 · 312.6±35.0 °C(Predicted)
Density: 1.458 · 1.458±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: Crystals
color: White to light yellow
Sensitive: Moisture Sensitive
BRN: 3261529 · 3261529
InChI: 1S/C7H6Cl2O2S/c1-5-6(8)3-2-4-7(5)12(9,10)11/h2-4H,1H3
InChIKey: ZSIYKAQPQRTBPF-UHFFFAOYSA-N
SMILES: Cc1c(Cl)cccc1S(Cl)(=O)=O
CAS DataBase Reference: 80563 · 80563-86-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 280 · P280-P305+P351+P338-P310-P309
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C,Xi
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45-39-37-36
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive/Irritant
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29049090 · 29049090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B

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 47 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

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

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29049090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Corrosive/Irritant
safety_code: 26-36/37/39-45-39-37-36
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314-H318
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P305+P351+P338-P310-P309

Chemistry & industry

Applications · 3 items

Uses3-Chloro-2-methylbenzenesulfonyl Chloride is used in preparation of benzisoxazole sulfonamides useful in treatment of diseases.

Uses3-Chloro-2-methylbenzenesulfonyl chloride may be used in the synthesis of ethyl [6-(3-chloro-2-methyl-benzenesulfonyl-amino)-pyridin-2-yl]-acetate and ethyl 2-(2-{[(3-chloro-2-methylphenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate.

General Description3-Chloro-2-methylbenzenesulfonyl chloride is an aryl sulfonyl chloride derivative.