Basic information
- CAS
22117-79-9- Standard SMILES
COc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-]- InChIKey
PWYNJONRUFAOFG-UHFFFAOYSA-N- Molecular formula
- C7H6ClNO5S
- Average molar mass
- 251.64 g/mol
- Monoisotopic mass
- 250.9655212
Names & identifiers
- Preferred name
- Benzenesulfonyl chloride, 4-methoxy-3-nitro-
- IUPAC
- 4-methoxy-3-nitrobenzenesulfonyl chloride
- English name
- 4-methoxy-3-nitrobenzenesulphonyl chloride
- Molecular formula
- C7H6ClNO5S
- Molecular weight
- 251.64
Names & synonyms
22117-79-94-methoxy-3-nitrobenzenesulfonyl chlorideBenzenesulfonyl chloride, 4-methoxy-3-nitro-4-Methoxy-3-nitrobenzenesulphonyl chlorideDTXSID8066761EINECS 244-788-6RefChem:565054DTXCID7036612244-788-64-Methoxy-3-nitro-benzenesulfonyl chloride4-Methoxy-3-nitrobenzene-1-sulfonyl chlorideMFCD06253473
Show more names
KE2UJU7MJJ4-Methoxy-3-nitrobenzene-1-sulfonylchlorideSCHEMBL48975432-Nitroanisole-4-sulfonyl chlorideAC5632GS3078AKOS0026626184-methoxy-3-nitrobenzensulfonyl chloride
Database identifiers
- CAS
22117-79-9- PubChem CID
- 89600
- DTXSID
DTXSID8066761- UNII
- KE2UJU7MJJ
- EC Number
- 244-788-6
- Nikkaji
- J28.766K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Melting point
- 114 °C · 114 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 408.2 · 408.2±30.0 °C(Predicted)
- Density
- 1.553 · 1.553±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- EPA Substance Registry System
- 4 · Benzenesulfonyl chloride, 4-methoxy-3-nitro- (22117-79-9)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- TSCA
- TSCA listed
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
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 2 reports by companies from 2 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
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonyl chloride, 4-methoxy-3-nitro-: INACTIVE
Applications
Uses4-Methoxy-3-nitrobenzenesulfonyl chloride is an acyl halide derivative, mainly used in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers24 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Related reactions
9 records
Compound notes
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