2-Cyanobenzenesulfonyl Chloride
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Basic information
- CAS
69360-26-5- Standard SMILES
N#Cc1ccccc1S(=O)(=O)Cl- InChIKey
NQAYCMBZPAARNO-UHFFFAOYSA-N- Molecular formula
- C7H4ClNO2S
- Average molar mass
- 201.63 g/mol
- Monoisotopic mass
- 200.96512705
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 propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 66.3 Ų
- 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
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
Related reactions
68 records
Compound notes
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