2,5-Dichlorobenzenesulfonyl chloride (HCID 79401)

Names & identifiers

Preferred name: 2,5-Dichlorobenzenesulfonyl chloride
IUPAC: 2,5-dichlorobenzenesulfonyl chloride
English name: 2,5-Dichlorobenzenesulfonyl chloride
Molecular formula: C6H3Cl3O2S
Molecular weight: 245.51

Names & synonyms

2,5-Dichlorobenzenesulfonyl chloride5402-73-32,5-Dichlorobenzene-1-Sulfonyl ChlorideBenzenesulfonyl chloride, 2,5-dichloro-2,5-Dichlorobenzenesulphonyl chloride2,5-dichlorobenzenesulfonylchlorideMFCD000074292,5-dichloro-benzenesulfonyl chlorideB9L46SY33BNSC-8545(2,5-dichlorophenyl)chlorosulfoneNSC 8545

Show more names

2,5-dichloro-benzenesulfonylchlorid2,5-DichlorobenzenesulfonylChloride>Benzenesulfonyl chloride, 2,5-dichloro-2,5-Dichlorobenzenesulphonyl chloride 98%2,5-DICHLOROBENZENESULFONYL CHLORIDE, 98 %2,5-Dichlorobenzenesulfonyl chloride, 98% 25GR

EINECS 226-453-6AI3-62580UNII-B9L46SY33BSCHEMBL198172DTXSID7063841SCHEMBL29386495BXCOSWRSIISQSL-UHFFFAOYSA-NSC8545

Database identifiers

CAS: 5402-73-3
PubChem CID: 79401
DTXSID: DTXSID7063841
UNII: B9L46SY33B
EC Number: 226-453-6
Nikkaji: J28.773C

Properties

Computed structural properties

XLogP: 3
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

Chemical ClassesToxic Gases & Vapors -> Acid Halides

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physical DescriptionOff-white powder; mp = 36-37 deg C; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 36 · 36-37 °C(lit.)
Boiling point: 253 °C · 253°C (estimate)
Density: 1.608 · 1.608 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform, DMSO
form: solid
color: Off-White to Pale Beige
Sensitive: Moisture Sensitive
BRN: 2369410 · 2369410
InChI: 1S/C6H3Cl3O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H
InChIKey: BXCOSWRSIISQSL-UHFFFAOYSA-N
SMILES: Clc1ccc(Cl)c(c1)S(Cl)(=O)=O
CAS DataBase Reference: 5402 · 5402-73-3(CAS DataBase Reference)
FDA UNII: 9 L46SY33B · B9L46SY33B
EPA Substance Registry System: 2 · Benzenesulfonyl chloride, 2,5-dichloro- (5402-73-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 260 · P260-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
target organs: Respiratory system
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34-36/37
Safety Statements: 26 · 26-27-28-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive
TSCA: TSCA listed
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. 1BSTOT SE 3
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]

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

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29049090
risk_code: 34-36/37
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
hazard_note: Corrosive
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
target organs: Respiratory system
Hazard statements: H314-H335
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
Precautionary statements: P260-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenesulfonyl chloride, 2,5-dichloro-: INACTIVE

Applications

Uses2,5-Dichlorobenzenesulfonyl chloride was used to study the synthesis and structure–activity profile of benzoxazole benzenesulfonamide analogs.

Uses2,5-Dichlorobenzenesulfonyl Chloride is used in the synthesis of sulfonamide derivatives that show antibacterial activity. It has been described as a modifier for Nylon 6.