CAS 23378-88-3 3,5-Dichloro-2-hydroxybenzenesulphonyl chloride (HCID 90078)

Names & identifiers

Preferred name: 3,5-Dichloro-2-hydroxybenzenesulphonyl chloride
IUPAC: 3,5-dichloro-2-hydroxybenzenesulfonyl chloride
English name: 3,5-DICHLORO-2-HYDROXYBENZENESULFONYL CHLORIDE
Molecular formula: C6H3Cl3O3S
Molecular weight: 261.51

Names & synonyms

3,5-Dichloro-2-hydroxybenzenesulfonyl chloride23378-88-33,5-Dichloro-2-hydroxybenzenesulphonyl chlorideEINECS 245-619-9KXFQRJNVGBIDHA-UHFFFAOYSA-DTXSID80177926RefChem:486707DTXCID40100417245-619-9InChI=1/C6H3Cl3O3S/c7-3-1-4(8)6(10)5(2-3)13(9,11)12/h1-2,10HBenzenesulfonyl chloride, 3,5-dichloro-2-hydroxy-3,5-dichloro-2-hydroxybenzene-1-sulfonyl chloride

Show more names

3378-88-32,4-Dichloro-6-(chlorosulfonyl)phenol2,4-DICHLOROPHENOL-6-SULFONYL CHLORIDE2,4-DICHLOROPHENOL-6-SULPHONYL CHLORIDE2 4-DICHLOROPHENOL-6-SULFONYLCHLORIDE 99%3,5-dichloro-2-hydroxy-benzenesulfonylchlorid

MFCD000074323,5-Dichloro-2-hydroxybenzenesulfonylchloride3,5-dichloro-2-hydroxy-benzenesulfonyl chloride35-Dichloro-2-hydroxybenzenesulfonyl chlorideSCHEMBL184213STL183300AKOS015916412FD70372

Database identifiers

CAS: 23378-88-3
PubChem CID: 90078
DTXSID: DTXSID80177926
EC Number: 245-619-9
Nikkaji: J149.838J

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 62.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 273

Physicochemical properties

Melting point: 80 · 80-83 °C (lit.)
Boiling point: 359 · 359.0±42.0 °C(Predicted)
Density: 1.652 · 1.652 (estimate)
storage temp.: 30 °C · Store below +30°C.
form: Powder
pka: 4.03 · 4.03±0.50(Predicted)
color: Light beige to light brown
Water Solubility: Hydrolyzes in water.
Sensitive: Moisture Sensitive
BRN: 2940993 · 2940993
InChI: 1S/C6H3Cl3O3S/c7-3-1-4(8)6(10)5(2-3)13(9,11)12/h1-2,10H
InChIKey: KXFQRJNVGBIDHA-UHFFFAOYSA-N
SMILES: Oc1c(Cl)cc(Cl)cc1S(Cl)(=O)=O
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: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-21
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29089990 · 29089990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B

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 44 reports by companies from 3 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

F: 10-21
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29089990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Chemistry & industry

Applications · 1 item

Uses3,5-Dichloro-2-hydroxybenzenesulfonyl chloride is used in the synthesis of (1R,2R)-(+)-1,2-(3,3,5,5-tetrachloro-2,2-dihydroxydibenzenesulfonamido)-1,2-diphenylethane1 and (1R,2R)-(+)- 1,2-(3,3,5,5-tetrachloro-2,2-dihydroxydibenzenesulfonamido)cyclohexane. It was used as chromogenic system in one-step kinetic method for the determination of 5-nucleotidase.