CAS 4392-54-5 p-Hydrazinobenzenesulphonamide (HCID 78105)

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Basic information

CAS: 4392-54-5
Standard SMILES: NNc1ccc(S(N)(=O)=O)cc1
InChIKey: NBJSNAGTUCWQRO-UHFFFAOYSA-N
Molecular formula: C6H9N3O2S
Average molar mass: 187.22 g/mol
Monoisotopic mass: 187.04154753

Names & identifiers

Preferred name: p-Hydrazinobenzenesulphonamide
IUPAC: 4-hydrazinylbenzenesulfonamide
English name: 4-Hydrazinobenzenesulfonamide
Molecular formula: C6H9N3O2S
Molecular weight: 187.22

Names & synonyms

p-HydrazinobenzenesulphonamideEINECS 224-513-6DTXSID40195989NSC 73246RefChem:858080DTXCID30118480224-513-64-hydrazinylbenzenesulfonamide4392-54-54-hydrazinobenzenesulfonamidePhenylhydrazine-4-sulfonamideBenzenesulfonamide, 4-hydrazino-

Show more names

4-hydrazinylbenzenesulfonamide hydrochlorideAKOS BBS-00007034CHEMPACIFIC 39937Celecoxib Impurity 36Celecoxib EP Impurity E4-Sulfamoylphenylhydrazine4-HYDRAZINO-BENZYLSULFOAMIDE4-HYDRAZINO-BENZENSULFONAMIDE

4-hydrazinylbenzene-1-sulfonamide4-Hydrazino-benzenesulfonamideMFCD00625132CHEMBL72044-hydrazineylbenzenesulfonamidebenzenesulfonamide, 4-hydrazinyl-NSC-73246p-Hydrazinobenzenesulfonamide

Database identifiers

CAS: 4392-54-5
PubChem CID: 78105
DTXSID: DTXSID40195989
ChEMBL: CHEMBL7204
UNII: 642KHM22TW
EC Number: 224-513-6
Nikkaji: J30.824B

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 107 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 226

Physicochemical properties

Melting point: 158 · 158-1590C
Boiling point: 434.7 · 434.7±47.0 °C(Predicted)
Density: 1.497 · 1.497±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: 10.57 · 10.57±0.12(Predicted)
Appearance: Off-white to light brown Solid
CAS DataBase Reference: 4392 · 4392-54-5(CAS DataBase Reference)
FDA UNII: 642 KHM22TW · 642KHM22TW
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501
HazardClass: IRRITANT
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesAcute Tox. 4 (50%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302
REACH Registrations: Active
Precautionary statements: P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications

Uses4-Hydrazinobenzenesulfonamide is a key starting material for synthesizing sulfonamides bearing 1,3,5-triarylpyrazoline and 4-thiazolidinone moieties as novel antimicrobial agents.

UsesIntermediate in the production of Celebrex.