Basic information
- CAS
22821-80-3- Standard SMILES
CC(=O)Nc1ccc(S(C)(=O)=O)cc1- InChIKey
SJYUABJSWXGSAO-UHFFFAOYSA-N- Molecular formula
- C9H11NO3S
- Average molar mass
- 213.26 g/mol
- Monoisotopic mass
- 213.04596439
Names & identifiers
- Preferred name
- 4'-(Methylsulfonyl)acetanilide
- IUPAC
- N-(4-methylsulfonylphenyl)acetamide
- English name
- 4'-(Methylsulfonyl)acetanilide
- Molecular formula
- C9H11NO3S
- Molecular weight
- 213.25
Names & synonyms
4'-(Methylsulfonyl)acetanilide22821-80-3N-(4-(Methylsulfonyl)phenyl)acetamideN-(4-methylsulfonylphenyl)acetamiden-[4-(methylsulfonyl)phenyl]acetamideMFCD00025068NSC85737N-(4-methanesulfonylphenyl)acetamide4-methylsulphonyl-acetanilideSCHEMBL756792Acetamide, N-[4-(methylsulfonyl)phenyl]-DTXSID60292823
Show more names
Sulfadimethoxine Impurity 21N-(4-METHANESULFONYL-PHENYL)-ACETAMIDE4'-methylsulfonylacylethylacylbenzeneamine4′-(Methylsulfonyl)acetanilide, CAS 22821-80-3
NSC 85737NSC-85737AKOS0089191774-(METHYLSULFONYL)ACETANILIDENCIOpen2_004825p-(Methylsulfonyl)acetanilideSCHEMBL756791Acetanilide, 4'-(methylsulfonyl)-
Database identifiers
- CAS
22821-80-3- PubChem CID
- 257586
- DTXSID
DTXSID60292823- EC Number
- 681-855-2
- Nikkaji
- J29.476D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 297
Experimental & physicochemical properties
LogP0.58
Physicochemical properties
- Melting point
- 183 °C · 183 °C
- Boiling point
- 477 · 477.0±37.0 °C(Predicted)
- Density
- 1.297 · 1.297±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.06 · 14.06±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers12 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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