Benzenesulfonyl chloride, 3,4-dichloro- (HCID 7383)

Names & identifiers

Preferred name: Benzenesulfonyl chloride, 3,4-dichloro-
IUPAC: 3,4-dichlorobenzenesulfonyl chloride
English name: 3,4-DICHLOROBENZENESULFONYL CHLORIDE
Molecular formula: C6H3Cl3O2S
Molecular weight: 245.51

Names & synonyms

3,4-DICHLOROBENZENESULFONYL CHLORIDE98-31-7Benzenesulfonyl chloride, 3,4-dichloro-AI3-19279NSC 2651EINECS 202-656-53,4-dichlorobenzene-sulfonyl chlorideDTXSID5059165RefChem:118100DTXCID8049048NYIBPWGZGSXURD-UHFFFAOYSA-N3,4-Dichlorobenzene-1-Sulfonyl Chloride

Show more names

3,4-DICHLOROBENZENES3,4-dichloro-benzenesulfonylchlorid3,4-DichlorobenzenesulfonylChloride>Benzenesulfonyl chloride, 3,4-dichloro-3,4-Dichlorobenzenesulfonyl chloride,98%3,4-Dichlorobenzenesulfonic acid chloride

3,4-Dichlorobenzenesulphonyl chloride3,4-Dichlorophenylsulfonyl chloride3,4-dichlorobenzenesulfonylchlorideMFCD000412553,4-dichloro-benzenesulfonyl chlorideNSC-2651(3,4-dichlorophenyl)chlorosulfone3,4-dichloro benzene sulfonyl chloride

Database identifiers

CAS: 98-31-7
PubChem CID: 7383
DTXSID: DTXSID5059165
UNII: AX3AD43WDD
EC Number: 202-656-5
Nikkaji: J134.695D

Properties

Computed structural properties

XLogP: 3.4
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: 246

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 20 · 20-22°C
Boiling point: 253 °C · 253 °C(lit.)
Density: 1.572 g/mL · 1.572 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.589(lit.)
Flash point: 135 °F · 135 °F
storage temp.: Inert atmosphere,Room Temperature
form: powder to lump to clear liquid
color: White or Colorless to Almost white or Almost colorless
Sensitive: Moisture Sensitive
BRN: 1956417 · 1956417
InChI: 1S/C6H3Cl3O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H
InChIKey: NYIBPWGZGSXURD-UHFFFAOYSA-N
SMILES: Clc1ccc(cc1Cl)S(Cl)(=O)=O
CAS DataBase Reference: 98 · 98-31-7(CAS DataBase Reference)
FDA UNII: 3 AD43WDD · AX3AD43WDD
EPA Substance Registry System: 3 · Benzenesulfonyl chloride, 3,4-dichloro- (98-31-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 226 · H226-H314
Precautionary statements: 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-27-28-36/37/39-45
RIDADR: 2920 · UN 2920 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive/Moisture Sensitive
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29049090 · 29049090
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 Skin · Flam. Liq. 3Skin 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

GHS classification

GHS Classification · 4 items

Danger

H226 (83.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (83.7%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 2920 8/PG 2
hs_code: 29049090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: C
hazard_note: Corrosive/Moisture Sensitive
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H226-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: Flam. Liq. 3Skin Corr. 1B
Precautionary statements: P210-P233-P240-P280-P303+P361+P353-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenesulfonyl chloride, 3,4-dichloro-: INACTIVE

Applications

Description3,4-Dichlorobenzenesulfonyl Chloride, fp 22.4℃, is manufactured from o-dichlorobenzene and chlorosulfuric acid; used as an inexpensive acylating agent.

Uses3,4-Dichloro-benzenesulfonyl Chloride is a useful reagent for organic synthesis.