Basic information
- CAS
80789-73-7- Standard SMILES
Nc1ccc(S(=O)(=O)NS(=O)(=O)c2ccccc2)cc1- InChIKey
TXWROWPXUQZXFZ-UHFFFAOYSA-N- Molecular formula
- C12H12N2O4S2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.02384922
Names & identifiers
- Preferred name
- N-(Phenylsulphonyl)sulphanilamide
- IUPAC
- 4-amino-N-(benzenesulfonyl)benzenesulfonamide
- English name
- N-(phenylsulphonyl)sulphanilamide
- Molecular formula
- C12H12N2O4S2
- Molecular weight
- 312.36
Names & synonyms
N-(Phenylsulphonyl)sulphanilamide80789-73-7EINECS 279-555-8DTXSID10230639NSC 111116RefChem:828564DTXCID90153130279-555-8NSC-1111164-amino-n-(phenylsulfonyl)benzenesulfonamideNSC111116Y5WE8RMC5F
Show more names
4-AMINODIBENZENESULFONAMIDE)
Dibenzenesulfonamide, 4-amino-SCHEMBL8564462TXWROWPXUQZXFZ-UHFFFAOYSA-N4-AMINO-DI-BENZENE-SULFONAMIDEAKOS024341682NS000380864-Amino-N-(benzenesulfonyl)benzene-1-sulfonamideBenzenesulfonamide, 4-amino-N-(phenylsulfonyl)-
Database identifiers
- CAS
80789-73-7- PubChem CID
- 97281
- DTXSID
DTXSID10230639- UNII
- Y5WE8RMC5F
- EC Number
- 279-555-8
- Nikkaji
- J320.313A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 505
Physicochemical properties
- Boiling point
- 541.8 · 541.8±52.0 °C(Predicted)
- Density
- 1.473 · 1.473±0.06 g/cm3(Predicted)
- pka
- -2.83 · -2.83±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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