Basic information
- CAS
173158-12-8- Standard SMILES
CNS(=O)(=O)c1cccc(C(C)=O)c1- InChIKey
LXXZAVZKXPUNCU-UHFFFAOYSA-N- Molecular formula
- C9H11NO3S
- Average molar mass
- 213.26 g/mol
- Monoisotopic mass
- 213.04596439
Names & identifiers
- Preferred name
- 3-acetyl-N-methylbenzene-1-sulfonamide
- IUPAC
- 3-acetyl-N-methylbenzenesulfonamide
- English name
- 3-acetyl-N-methylbenzene-1-sulfonamide
- Molecular formula
- C9H11NO3S
- Molecular weight
- 213.25
Names & synonyms
3-acetyl-N-methylbenzene-1-sulfonamide173158-12-83-acetyl-N-methylbenzenesulfonamideSCHEMBL4057326YGA158123-Acetyl-N-methyl-benZenesulfonamideMFCD11115718AKOS008940317DB-410639CS-0248985EN300-42071G25442
Show more names
Benzenesulfonamide, 3-acetyl-N-methyl-
Z45527686
Database identifiers
- CAS
173158-12-8- PubChem CID
- 8468005
- EC Number
- 160-543-5
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Boiling point
- 374.9 · 374.9±44.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- pka
- 10.88 · 10.88±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
UKRORGSYN-BB[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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