2,3,4-Trichlorobenzenesulfonyl chloride

HCID 36904CAS 34732-09-7

Substructure search Find similar structures

Basic information

Standard SMILES: O=S(=O)(Cl)c1ccc(Cl)c(Cl)c1Cl
InChIKey: JDAJYNHGBUXIKS-UHFFFAOYSA-N
Molecular formula: C6H2Cl4O2S
Average molar mass: 280 g/mol
Monoisotopic mass: 277.85296102

Names & identifiers

Preferred name: 2,3,4-Trichlorobenzenesulfonyl chloride
IUPAC: 2,3,4-trichlorobenzenesulfonyl chloride
English name: 2,3,4-Trichlorobenzenesulfonyl chloride
Molecular formula: C6H2Cl4O2S
Molecular weight: 279.96

Names & synonyms

2,3,4-Trichlorobenzenesulfonyl chloride34732-09-72,3,4-TRICHLOROBENZENESULPHONYL CHLORIDE9QI6W9Z13VBenzenesulfonyl chloride, 2,3,4-trichloro-EINECS 252-174-42,3,4-Trichlorophenylsulfonyl chlorideJDAJYNHGBUXIKS-UHFFFAOYSA-DTXSID70188283RefChem:441723DTXCID00110774InChI=1/C6H2Cl4O2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H

Show more names

2,3,4-Trichlorobenzenesulphonylchloride98%2,3,4-Trichlorobenzenesulfonyl chloride 97%2,3,4-Trichlorobenzenesulphonyl chloride 98%

2,3,4-trichlorobenzene-1-sulfonyl chloride2,3,4-Trichloro benzene sulfonyl chlorideMFCD00024871UNII-9QI6W9Z13VSCHEMBL788147SCHEMBL31556483STR06595SBB054986

Database identifiers

CAS: 34732-09-7
PubChem CID: 36904
DTXSID: DTXSID70188283
UNII: 9QI6W9Z13V
EC Number: 252-174-4
Nikkaji: J320D

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 273

Physicochemical properties

Melting point: 62 · 62-66 °C
Boiling point: 349.9 · 349.9±42.0 °C(Predicted)
Density: 1.728 · 1.728±0.06 g/cm3(Predicted)
form: crystalline solid
color: White
Sensitive: Moisture Sensitive
BRN: 2649436 · 2649436
InChI: 1S/C6H2Cl4O2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H
InChIKey: JDAJYNHGBUXIKS-UHFFFAOYSA-N
SMILES: Clc1ccc(c(Cl)c1Cl)S(Cl)(=O)=O
CAS DataBase Reference: 34732 · 34732-09-7(CAS DataBase Reference)
FDA UNII: 9 QI6W9Z13V · 9QI6W9Z13V
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: 20 · 20/21/22-34-36/37-29-14
Safety Statements: 26 · 26-27-36/37/39-45-30-23-22-28
RIDADR: 1759 · 1759
WGK Germany: 3 · 3
Hazard Note: Corrosive/Moisture Sensitive
HazardClass: 8 · 8
PackingGroup: II
HS Code: 2904990090 · 2904990090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
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, 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 43 reports by companies from 2 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: 1759
hs_code: 2904990090
risk_code: 20/21/22-34-36/37-29-14
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive/Moisture Sensitive
safety_code: 26-27-36/37/39-45-30-23-22-28
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314
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: Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363