3-Pentanone p-Toluenesulfonylhydrazone
Basic information
- CAS
28495-72-9- Standard SMILES
CCC(CC)=NNS(=O)(=O)c1ccc(C)cc1- InChIKey
GUEMDXLIHCONOI-UHFFFAOYSA-N- Molecular formula
- C12H18N2O2S
- Average molar mass
- 254.35 g/mol
- Monoisotopic mass
- 254.10889899
Names & identifiers
- Preferred name
- 3-Pentanone p-Toluenesulfonylhydrazone
- IUPAC
- 4-methyl-N-(pentan-3-ylideneamino)benzenesulfonamide
- English name
- 3-Pentanone p-Toluenesulfonylhydrazone
- Molecular formula
- C12H18N2O2S
- Molecular weight
- 254.35
Names & synonyms
3-Pentanone p-ToluenesulfonylhydrazoneDTXSID80298923RefChem:504727DTXCID20250060678-468-628495-72-9MFCD03367534Benzenesulfonic acid, 4-methyl-, 2-(1-ethylpropylidene)hydrazide4-methyl-N-(pentan-3-ylideneamino)benzenesulfonamide4-methyl-N'-(pentan-3-ylidene)benzene-1-sulfonohydrazide3-Pentanonep-ToluenesulfonylhydrazoneNSC126974
Show more names
3-Pentanone Tosylhydrazone3-Pentanonep-Toluenesulfonylhydrazone>3-Pentanone p-Toluenesulfonylhydrazone4-Methyl-N'-(pent-3-ylidene)benzenesulfonohydrazide4-Methylbenzenesulfonic acid 2-(1-ethylpropylidene)hydrazide
SCHEMBL23575223GUEMDXLIHCONOI-UHFFFAOYSA-NAKOS000979637NSC-126974AS-71727DB-241232CS-0152665D80404
Database identifiers
- CAS
28495-72-9- PubChem CID
- 277909
- DTXSID
DTXSID80298923- EC Number
- 678-468-6
- Nikkaji
- J2.925.657H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Melting point
- 103 °C · 103 °C
- Boiling point
- 377 · 377.0±35.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 10.48 · 10.48±0.40(Predicted)
- color
- White to Almost white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- HS Code
- 2921.49 · 2921.49.5000
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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%)
Safety data
- hs_code
- 2921.49.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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