2-Cyanobenzenesulfonyl Chloride (HCID 522347)

Names & identifiers

Preferred name: 2-Cyanobenzenesulfonyl Chloride
IUPAC: 2-cyanobenzenesulfonyl chloride
English name: 2-Cyanobenzenesulphonyl chloride
Molecular formula: C7H4ClNO2S
Molecular weight: 201.63

Names & synonyms

2-Cyanobenzenesulfonyl chloride69360-26-5DTXSID70334925RefChem:86578DTXCID50286014627-774-8NQAYCMBZPAARNO-UHFFFAOYSA-N2-cyanobenzene-1-sulfonyl chloride2-Cyanobenzenesulphonyl chlorideMFCD000523412-cyanobenzenesulfonylchlorideSCHEMBL489976

Show more names

BUTTPARK 33\11-762-Cyanobenzenesulpho2-Cyanobenzene-1-suL2-Cyanobenzenesulphonylchloro-Cyanobenzenesulfonyl ChlorideBenzenesulfonyl chloride, 2-cyano-

2-cyanobenzene sulfonyl chloride2-Cyanobenzenesulfonyl chloride, 98%C1811F2167-00722-cyanophenylsulfonyl chloride2-Cyanobenzensulfonyl chloride2-Cyanobenzensulfonyl chcyanobenzenesulfonyl chloride

Database identifiers

CAS: 69360-26-5
PubChem CID: 522347
DTXSID: DTXSID70334925
ChEMBL: CHEMBL5022894
EC Number: 627-774-8
Nikkaji: J2.792.351H

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 66.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 297

Physicochemical properties

Melting point: 65 · 65-69 °C (lit.)
Boiling point: 350.9 · 350.9±25.0 °C(Predicted)
Density: 1.53 · 1.53±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: powder to crystal
color: White to Light yellow to Light orange
Sensitive: Moisture Sensitive
BRN: 2721588 · 2721588
InChI: 1S/C7H4ClNO2S/c8-12(10,11)7-4-2-1-3-6(7)5-9/h1-4H
InChIKey: NQAYCMBZPAARNO-UHFFFAOYSA-N
SMILES: ClS(=O)(=O)c1ccccc1C#N
CAS DataBase Reference: 69360 · 69360-26-5(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2-Cyanobenzenesulfonyl chloride(69360-26-5)
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: 1759 · UN 1759 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29269090 · 29269090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (10.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 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 CategoriesAcute Tox. 4 (10.6%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 1759 8/PG 2
hs_code: 29269090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive
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

Uses2-Cyanobenzenesulfonyl chloride may be used in the synthesis of:2-butyl-5-(2-cyanophenyl)furan2-(2-cyanophenyl)-3,6-dimethyl-4,5,6,7-tetrahydrobenzofuran5-thia-4b,10-diaza-indeno[2,1-a]indene-5,5-dioxide1-methyl-2-(2-cyanophenyl)pyrrole