3-Chlorobenzenesulphonyl chloride

HCID 17909

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Basic information

CAS: 2888-06-4
Standard SMILES: O=S(=O)(Cl)c1cccc(Cl)c1
InChIKey: OINWZUJVEXUHCC-UHFFFAOYSA-N
Molecular formula: C6H4Cl2O2S
Average molar mass: 211.06 g/mol
Monoisotopic mass: 209.93090573

Names & identifiers

Preferred name: 3-Chlorobenzenesulphonyl chloride
IUPAC: 3-chlorobenzenesulfonyl chloride
English name: 3-Chlorobenzenesulfonyl chloride
Molecular formula: C6H4Cl2O2S
Molecular weight: 211.07

Names & synonyms

3-Chlorobenzenesulfonyl chloride2888-06-43-Chlorobenzenesulphonyl chlorideDTXSID10183075EINECS 220-753-0M-CHLOROBENZENESULPHONYL CHLORIDERefChem:500462DTXCID20105566220-753-03-Chlorobenzene-1-Sulfonyl ChlorideBenzenesulfonyl chloride, 3-chloro-3-chlorobenzenesulfonylchloride

Show more names

BUTTPARK 95\57-493-Chlorobenzenesulfo3-chlorobenzenesulphonyl3-chlorosulfonyl chloride3-Chlorophenylsulphonyl chloride

3-chloro-benzenesulfonyl chlorideMFCD00051697m-chlorobenzenesulfonyl chloride3-chlorobenzene-1-sulfonylchloride3-chlorophenylsulfonyl chloridem-ChlorbenzolsulfochloridSCHEMBL160003-chlorobenzenesulfonylchoride

Database identifiers

CAS: 2888-06-4
PubChem CID: 17909
DTXSID: DTXSID10183075
EC Number: 220-753-0
Nikkaji: J306.812I

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 219

Physicochemical properties

Melting point: 21 °C · 21°C
Boiling point: 102 · 102-104 °C/1 mmHg (lit.)
Density: 1.499 g/mL · 1.499 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.568(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Liquid
color: Clear yellow
Sensitive: Moisture Sensitive
BRN: 2937139 · 2937139
InChI: InChI=1S/C6H4Cl2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H
InChIKey: OINWZUJVEXUHCC-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=CC=CC(Cl)=C1
CAS DataBase Reference: 2888 · 2888-06-4(CAS DataBase Reference)
NIST Chemistry Reference: 3 · 3-Chlorobenzenesulfonyl chloride(2888-06-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 2 · 2
RTECS: 8925500 · DB8925500
Hazard Note: Corrosive
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
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

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 85 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

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

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 2
rtecs: DB8925500
ridadr: UN 3265 8/PG 2
hs_code: 29049090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive
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: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405