Basic information
- CAS
4999-02-4- Standard SMILES
CC(=O)CS(=O)(=O)c1ccc(NC(C)=O)cc1- InChIKey
SJXNZIGVAWVGSA-UHFFFAOYSA-N- Molecular formula
- C11H13NO4S
- Average molar mass
- 255.29 g/mol
- Monoisotopic mass
- 255.05652907
Names & identifiers
- Preferred name
- (4-Acetamidophenylsulfonyl)acetone
- IUPAC
- N-[4-(2-oxopropylsulfonyl)phenyl]acetamide
- English name
- (4-Acetamidophenylsulfonyl)acetone
- Molecular formula
- C11H13NO4S
- Molecular weight
- 255.29
Names & synonyms
(4-ACETAMIDOPHENYLSULFONYL)ACETONERefChem:402362637-124-5N-[4-(2-oxopropylsulfonyl)phenyl]acetamide4999-02-4NSC299381SCHEMBL14363016DTXSID40316096AKOS022210080NSC-299381DS-011901N-[4-(2-Oxopropane-1-sulfonyl)phenyl]acetamide
Show more names
Acetamide, N-[4-[(2-oxopropyl)sulfonyl]phenyl]-
Database identifiers
- CAS
4999-02-4- PubChem CID
- 326892
- DTXSID
DTXSID40316096- EC Number
- 637-124-5
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Melting point
- 115 °C · 115 °C
- Boiling point
- 528.6 · 528.6±50.0 °C(Predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- pka
- 14.01 · 14.01±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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