Basic information
- CAS
13229-35-1- Standard SMILES
CN(c1ccccc1)S(C)(=O)=O- InChIKey
GVUINMQKMBASGD-UHFFFAOYSA-N- Molecular formula
- C8H11NO2S
- Average molar mass
- 185.25 g/mol
- Monoisotopic mass
- 185.05104977
Names & identifiers
- Preferred name
- N-methyl-N-phenylmethanesulfonamide
- IUPAC
- N-methyl-N-phenylmethanesulfonamide
- English name
- N-methyl-N-phenylmethanesulfonamide
- Molecular formula
- C8H11NO2S
- Molecular weight
- 185.24
Names & synonyms
N-methyl-N-phenylmethanesulfonamideRefChem:830642867-358-513229-35-1Maybridge1_005033ChemDiv2_000333AE-018/31856029SCHEMBL171307SCHEMBL486251SCHEMBL687171SCHEMBL1043536SCHEMBL2100300
Show more names
Methanesulfonamide, N-methyl-N-phenyl-
SCHEMBL4980683methyl(methylsulfonyl)phenylamineHMS555M17N-methanesulfonyl-N-methylanilineDTXSID40879191HMS1369P03NAA22935N-methyl-N-phenyl-methanesulfonamide
Database identifiers
- CAS
13229-35-1- PubChem CID
- 733944
- DTXSID
DTXSID40879191- EC Number
- 867-358-5
- Nikkaji
- J1.025.457D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.02
Physicochemical properties
- Melting point
- 78 °C · 78 °C
- Boiling point
- 283.9 · 283.9±23.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- pka
- -2.12 · -2.12±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H312-H315-H319-H332
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H312-H315-H319-H332
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
烟台博运生物科技有限公司13793517650 13793517650 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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