Basic information
- CAS
24954-60-7- Standard SMILES
CS(=O)(=O)NCCc1ccc([N+](=O)[O-])cc1- InChIKey
NJCUPWWIUJMALZ-UHFFFAOYSA-N- Molecular formula
- C9H12N2O4S
- Average molar mass
- 244.27 g/mol
- Monoisotopic mass
- 244.05177804
Names & identifiers
- Preferred name
- N-(2-(4-Nitrophenyl)ethyl)methanesulfonamide
- IUPAC
- N-[2-(4-nitrophenyl)ethyl]methanesulfonamide
- English name
- N-(4-nitrophenethyl)methanesulphonamide
- Molecular formula
- C9H12N2O4S
- Molecular weight
- 244.27
Names & synonyms
N-[2-(4-nitrophenyl)ethyl]methanesulfonamideMethanesulfonamide, N-[2-(4-nitrophenyl)ethyl]-X3S3EKX4HBN-(4-Nitrophenethyl)methanesulphonamideDTXSID7067037N-(2-(4-Nitrophenyl)ethyl)methanesulfonamideMethanesulfonamide, N-(2-(4-nitrophenyl)ethyl)-RefChem:161597DTXCID703718324954-60-7N-(4-Nitrophenethyl)methanesulfonamidep-(beta-Methanesulfonamidoethyl)nitrobenzene
Show more names
UNII-X3S3EKX4HBSCHEMBL6804358NJCUPWWIUJMALZ-UHFFFAOYSA-NEINECS 246-546-5MFCD14879485AKOS010613614BS-22124NS00027776
Database identifiers
- CAS
24954-60-7- PubChem CID
- 90664
- DTXSID
DTXSID7067037- UNII
- X3S3EKX4HB
- EC Number
- 246-546-5
- Nikkaji
- J286.433I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Melting point
- 120 · 120-121 °C
- Boiling point
- 430.5 · 430.5±47.0 °C(Predicted)
- Density
- 1.353 · 1.353±0.06 g/cm3(Predicted)
- pka
- 10.71 · 10.71±0.40(Predicted)
- FDA UNII
- 3 S3EKX4HB · X3S3EKX4HB
- EPA Substance Registry System
- 2 · Methanesulfonamide, N-[2-(4-nitrophenyl)ethyl]- (24954-60-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanesulfonamide, N-[2-(4-nitrophenyl)ethyl]-: INACTIVE
Suppliers6 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
湖州澄博生物科技有限公司13626726938
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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