2,6-Dichlorobenzenesulfonylchloride (HCID 522183)

Names & identifiers

Preferred name: 2,6-Dichlorobenzenesulfonylchloride
IUPAC: 2,6-dichlorobenzenesulfonyl chloride
English name: 2,6-Dichlorobenzenesulfonyl chloride
Molecular formula: C6H3Cl3O2S
Molecular weight: 245.51

Names & synonyms

2,6-Dichlorobenzenesulfonyl chloride6579-54-02,6-dichlorobenzene-1-sulfonyl chloride2,6-Dichlorobenzenesulfonylchloride2,6-dichlorophenylsulfonyl chlorideBENZENESULFONYL CHLORIDE, 2,6-DICHLORO-DTXSID70493468523KF52ZNDTXCID4029303RefChem:445454627-349-7MFCD00052311

Show more names

BUTTPARK 37\11-632,6-Dichlorobenzenes2,6-Dichlorobenzene-1-sulfoDichlorobenzenesulfonyl chlorid2,6-DICHLORO PHENYLSULFONYL CHLORIDE2,6-Dichlorobenzolsulfonsure chlorid2,6-two chlorobenzenesulfonyl chloride2,6-DichlorobenzenesulfonylChloride>

2,6-Dichlorobenzenesulphonyl chloride2,6-dichloro-benzenesulfonyl chlorideUNII-8523KF52ZNSCHEMBL181454CHEMBL3186764(2,6-dichlorophenyl)chlorosulfone2,6-dichlorobenzenesulfonyl-chlorideTox21_202863

Database identifiers

CAS: 6579-54-0
PubChem CID: 522183
DTXSID: DTXSID7049346
ChEMBL: CHEMBL3186764
UNII: 8523KF52ZN
EC Number: 627-349-7
Nikkaji: J2.954.560J

Properties

Computed structural properties

XLogP: 3.2
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: 236

Physicochemical properties

Melting point: 53 · 53-56 °C (lit.)
Boiling point: 326 · 326.0±32.0 °C(Predicted)
Density: 1.636 · 1.636±0.06 g/cm3(Predicted)
Flash point: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder to crystal
color: White to Light yellow
Water Solubility: Reacts with water.
Sensitive: Moisture Sensitive
BRN: 1531023 · 1531023
InChI: 1S/C6H3Cl3O2S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H
InChIKey: WGGKQIKICKLWGN-UHFFFAOYSA-N
SMILES: Clc1cccc(Cl)c1S(Cl)(=O)=O
CAS DataBase Reference: 6579 · 6579-54-0(CAS DataBase Reference)
FDA UNII: 8523 KF52ZN · 8523KF52ZN
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 1759 · UN 1759 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive/Moisture Sensitive
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29049090 · 29049090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1B
Limited Quantities: 1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 1759 8/PG 2
hs_code: 29049090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive/Moisture Sensitive
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Chemistry & industry

Applications

Uses2,6-Dichlorobenzenesulfonyl chloride is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

General Description2,6-Dichlorobenzenesulfonyl chloride, also known as 2,6-dichlorophenylsulfonyl chloride, is an aryl sulfonyl chloride derivative.