Basic information
- CAS
88681-04-3- Standard SMILES
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1- InChIKey
PZBATUNEVLSDIG-UHFFFAOYSA-N- Molecular formula
- C12H9ClN2O4S
- Average molar mass
- 312.73 g/mol
- Monoisotopic mass
- 311.99715545
Names & identifiers
- Preferred name
- 2'-Chloro-4'-nitrobenzenesulfonanilide
- IUPAC
- N-(2-chloro-4-nitrophenyl)benzenesulfonamide
Names & synonyms
2'-CHLORO-4'-NITROBENZENESULFONANILIDERefChem:439605662-669-0N-(2-chloro-4-nitrophenyl)benzenesulfonamideMLS00263923988681-04-3SMR001548686N-(2-chloro-4-nitro-phenyl)benzenesulfonamideNSC28600cid_231836SCHEMBL8309888CHEMBL1699207
Show more names
BDBM91375DTXSID001008299HMS3080M05NSC-28600AKOS003613405DS-001821ST50556704(2-chloro-4-nitrophenyl)(phenylsulfonyl)amine
Database identifiers
- CAS
88681-04-3- PubChem CID
- 231836
- DTXSID
DTXSID001008299- ChEMBL
CHEMBL1699207- EC Number
- 662-669-0
- Nikkaji
- J1.858.944C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 439
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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Related reactions
2 records
Compound notes
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