CAS 15945-07-0 2,4,5-Trichlorobenzenesulfonyl chloride (HCID 27575)

Substructure search Find similar structures

Basic information

CAS: 15945-07-0
Standard SMILES: O=S(=O)(Cl)c1cc(Cl)c(Cl)cc1Cl
InChIKey: WNVVRCKTQSCPAC-UHFFFAOYSA-N
Molecular formula: C6H2Cl4O2S
Average molar mass: 280 g/mol
Monoisotopic mass: 277.852961

Names & identifiers

Preferred name: 2,4,5-Trichlorobenzenesulfonyl chloride
IUPAC: 2,4,5-trichlorobenzenesulfonyl chloride
English name: 2,4,5-TRICHLOROBENZENESULFONYL CHLORIDE
Molecular formula: C6H2Cl4O2S
Molecular weight: 279.96

Names & synonyms

15945-07-02,4,5-TRICHLOROBENZENESULFONYL CHLORIDEBenzenesulfonyl chloride, 2,4,5-trichloro-UNII-7GD5283XIX7GD5283XIXEINECS 240-079-0NSC 269582,4,5-trichlorophenylsulfonyl chlorideNSC-26958DTXSID1065974RefChem:82005DTXCID9035129

Show more names

AKOS 213-162,4,5-trichlorobenzensulfonyl chloride2,4,5-trichloro-benzenesulfonylchlorid2,4,5-THRICHLOROBENZENESULFONYL CHLORIDE1-(Chlorosulphonyl)-2,4,5-trichlorobenzene2,4,5-Trichlorobenzenesulfonyl chloride,97%

240-079-0WNVVRCKTQSCPAC-UHFFFAOYSA-N2,4,5-trichlorobenzene-1-sulfonyl chlorideMFCD000074282,4,5-Trichlorobenzenesulphonyl chlorideNSC26958SCHEMBL534192orb1741354

Database identifiers

CAS: 15945-07-0
PubChem CID: 27575
DTXSID: DTXSID1065974
UNII: 7GD5283XIX
EC Number: 240-079-0

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: 65 · 65-69 °C
Boiling point: 138 °C · 138 °C(Press: 0.5 Torr)
Density: 1.728 · 1.728±0.06 g/cm3(Predicted)
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: soluble in Toluene
form: powder to crystal
color: White to Almost white
Sensitive: Moisture Sensitive
BRN: 1112595 · 1112595
InChI: 1S/C6H2Cl4O2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H
InChIKey: WNVVRCKTQSCPAC-UHFFFAOYSA-N
SMILES: Clc1cc(Cl)c(cc1Cl)S(Cl)(=O)=O
CAS DataBase Reference: 15945 · 15945-07-0(CAS DataBase Reference)
FDA UNII: 7 GD5283XIX · 7GD5283XIX
EPA Substance Registry System: 2 · Benzenesulfonyl chloride, 2,4,5-trichloro- (15945-07-0)

Safety & regulation

GHS classification

GHS Classification · 5 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 45 reports by companies from 4 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

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

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
ridadr: 3261
hs_code: 29049095
risk_code: 34-14
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive/Moisture Sensitive
safety_code: 26-27-36/37/39-8-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II