Basic information
- CAS
5663-71-8- Standard SMILES
CC(=O)Oc1ccccc1C(N)=O- InChIKey
KGHXFBVYXDFJGG-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Names & identifiers
- Preferred name
- 2-(Acetyloxy)benzamide
- IUPAC
- (2-carbamoylphenyl) acetate
- English name
- 2-(aminocarbonyl)phenyl acetate
- Molecular formula
- C9H9NO3
- Molecular weight
- 179.17266
Names & synonyms
5663-71-82-(Aminocarbonyl)phenyl acetate2-(Acetyloxy)benzamideRefChem:1061420DTXCID50204430DTXSID90461082-carbamoylphenyl acetateAcetylsalicylamideo-acetylsalicylamideInfluina(2-carbamoylphenyl) acetateO-Acetyl salicylamide
Show more names
2-AcetoxybenzamideBenzamide, 2-(acetyloxy)- (9ci)Salicylamide, acetate (ester) (8ci)
Benzamide, 2-(acetyloxy)-Salicylamide, O-acetyl-496N9P3MZSSalicylamide, acetate (ester)EINECS 227-120-8BRN 2692708UNII-496N9P3MZS2-carbamoylphenylacetate
Database identifiers
- CAS
5663-71-8- PubChem CID
- 79747
- DTXSID
DTXSID9046108- UNII
- 496N9P3MZS
- EC Number
- 227-120-8
- Nikkaji
- J54.304G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 138 °C · 138 °C
- Boiling point
- 323.4 · 323.4±25.0 °C(Predicted)
- Density
- 1.229 · 1.229±0.06 g/cm3(Predicted)
- pka
- 15.48 · 15.48±0.50(Predicted)
- FDA UNII
- 496 N9P3MZS · 496N9P3MZS
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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%)
Chemistry & industry
Suppliers8 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
南雄市普强生物科技有限公司15702096460 13602449734 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
南京华诺生物医药科技有限公司17715262260 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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