N-[4-(hydrazinosulfonyl)phenyl]acetamide
Basic information
- CAS
3989-50-2- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)NN)cc1- InChIKey
PBCWYAIMPZBEGL-UHFFFAOYSA-N- Molecular formula
- C8H11N3O3S
- Average molar mass
- 229.26 g/mol
- Monoisotopic mass
- 229.05211239
Names & identifiers
- Preferred name
- N-[4-(hydrazinosulfonyl)phenyl]acetamide
- IUPAC
- N-[4-(hydrazinesulfonyl)phenyl]acetamide
- English name
- 4-(Acetylamino)benzenesulfonic acid hydrazide
- Molecular formula
- C8H11N3O3S
- Molecular weight
- 229.26
Names & synonyms
3989-50-2N-[4-(hydrazinosulfonyl)phenyl]acetamideN-[4-(hydrazinesulfonyl)phenyl]acetamide4-(acetylamino)benzenesulfonic acid hydrazideN-(4-(Hydrazinylsulfonyl)phenyl)acetamideMFCD00025103N-[4-(hydrazinylsulfonyl)phenyl]acetamideNSC639Oprea1_206117p-acetamidobenzenesulfonohydrazideSCHEMBL15798330DTXSID40277072
Show more names
4-acetamidobenzenesulfonylhydrazine4-(Acetylamino)benzenesulfonohydrazideBenzenesulfonic acid, 4-(acetylamino)-, hydrazide
NSC-639ALBB-002766BBL013905SBB000695STK205833AKOS003270594ST019662VS-04039
Database identifiers
- CAS
3989-50-2- PubChem CID
- 219396
- DTXSID
DTXSID40277072- EC Number
- 110-840-0
- Nikkaji
- J144.315A
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Melting point
- 177 · 177-178 °C (decomp)
- Density
- 1.43 · 1.430±0.06 g/cm3(Predicted)
- pka
- 9.17 · 9.17±0.10(Predicted)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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