Completing data — usually done within a minute
Basic information
- CAS
88918-72-3- Standard SMILES
NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1- InChIKey
VYLIVAAMSLPRIS-UHFFFAOYSA-N- Molecular formula
- C7H8N2O4S
- Average molar mass
- 216.22 g/mol
- Monoisotopic mass
- 216.02047774
Names & identifiers
- Preferred name
- (4-Nitrophenyl)methanesulfonamide
- IUPAC
- (4-nitrophenyl)methanesulfonamide
Names & synonyms
(4-nitrophenyl)methanesulfonamideRefChem:403071861-755-788918-72-31-(4-nitrophenyl)methanesulfonamideBenzenemethanesulfonamide, 4-nitro-MFCD066612534-nitrobenzenemethanesulphonamide4-nitro-benzylsulfonamide4-nitrophenylmethanesulfonamideSCHEMBL29999444-nitro-benzenemethanesulfonamide
Show more names
DTXSID90373078VYLIVAAMSLPRIS-UHFFFAOYSA-N(4-nitrophenyl)-methanesulfonamide(4-nitro-phenyl)-methanesulfonamideAKOS000141767AS-81777SY172333CS-0160035
Database identifiers
- CAS
88918-72-3- PubChem CID
- 2755281
- DTXSID
DTXSID90373078- EC Number
- 861-755-7
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 295
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
12 records
Compound notes
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