Basic information
- CAS
937-32-6- Standard SMILES
O=[N+]([O-])c1ccc(SCl)cc1- InChIKey
NCBOVAWEMBIIFK-UHFFFAOYSA-N- Molecular formula
- C6H4ClNO2S
- Average molar mass
- 189.62 g/mol
- Monoisotopic mass
- 188.96512705
Names & identifiers
- Preferred name
- 4-Nitrobenzenesulfenyl chloride
- IUPAC
- (4-nitrophenyl) thiohypochlorite
- English name
- 4-Nitrobenzenesulfenyl chloride
- Molecular formula
- C6H4ClNO2S
- Molecular weight
- 189.62
Names & synonyms
4-Nitrobenzenesulfenyl chloride937-32-6DTXSID00403158RefChem:525924DTXCID20354012628-387-7(4-nitrophenyl) thiohypochloriteBenzenesulfenyl chloride, 4-nitro-[(4-NITROPHENYL)SULFANYL]CHLORANEchloro(4-nitrophenyl)thiop-nitrophenylsulfenyl chlorideSCHEMBL856512
Show more names
4-NITROBENZENESULFENYL CHLORIDE, TECH., CA. 95%4-NITROBENZENESULFENYL CHLORIDE ISO 9001：2015 REACH4-Nitrobenzenesulfenyl chloride technical grade, 95%
4-nitrophenyl hypochlorothioite4-nitrobenzene sulfenyl chlorideSCHEMBL107693471-(chlorosulfanyl)-4-nitrobenzeneAKOS009157089DB-057426ST51038142EN300-50218
Database identifiers
- CAS
937-32-6- PubChem CID
- 4425599
- DTXSID
DTXSID00403158- EC Number
- 628-387-7
- Nikkaji
- J28.461K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 48 · 48-51 °C(lit.)
- Boiling point
- 125 °C0.1 · 125 °C0.1 mm Hg(lit.)
- Density
- 1.492 · 1.492 (estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- form
- solid
- InChI
- 1S/C6H4ClNO2S/c7-11-6-3-1-5(2-4-6)8(9)10/h1-4H
- InChIKey
- NCBOVAWEMBIIFK-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccc(SCl)cc1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-27-28-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- III
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1B
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses4-Nitrobenzenesulfenyl chloride has been used in n-Bu4NI-induced electrophilic cyclization of N,N-dimethyl-(2-phenylethynyl) aniline.
General Description4-Nitrobenzenesulfenyl chloride has been used in n-Bu4NI-induced electrophilic cyclization of N,N-dimethyl-(2-phenylethynyl) aniline.
Suppliers13 total
Syntechem Co.,Ltd[email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
南京大唐医药科技有限公司025-84341491 13951930983 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
1 records
Compound notes
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