Basic information
- CAS
25233-49-2- Standard SMILES
CC(=O)CC(=O)Nc1cccc([N+](=O)[O-])c1- InChIKey
KQAQKCOLRNMYFK-UHFFFAOYSA-N- Molecular formula
- C10H10N2O4
- Average molar mass
- 222.2 g/mol
- Monoisotopic mass
- 222.0640568
Names & identifiers
- Preferred name
- N-(3-nitrophenyl)-3-oxobutanamide
- IUPAC
- N-(3-nitrophenyl)-3-oxobutanamide
- English name
- N-(3-Nitro-Phenyl)-3-Oxo-Butyramide
- Molecular formula
- C10H10N2O4
- Molecular weight
- 222.2
Names & synonyms
N-(3-nitrophenyl)-3-oxobutanamide25233-49-2N-(3-Nitro-phenyl)-3-oxo-butyramideN-(3-Nitrophenyl)-3-oxo-butanamideMFCD00024361NSC165878m-nitro-acetylacetanilideCBMicro_010055SCHEMBL8752436DTXSID10304480SMSF0013745AKOS000115295
Show more names
ACETOACET-M-NITROANILIDEAcetoacet-3-nitroanilideACETOACETAMINO-M-NITROANILIDEAcetoacet-o-nitroanilide(AAMNA)Butanamide, N-(3-nitrophenyl)-3-oxo-
CB12942NSC-165878BIM-0009955.P001CS-0307492ST50340262EN300-01345G34122SR-01000227236
Database identifiers
- CAS
25233-49-2- PubChem CID
- 296089
- DTXSID
DTXSID10304480- Nikkaji
- J1.472.179G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 120 · 120-121 °C
- Boiling point
- 439.7 · 439.7±30.0 °C(Predicted)
- Density
- 1.35 · 1.350±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.75 · 10.75±0.46(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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers24 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
苏州爱斯鹏药物研发有限责任公司+86-512-86881668
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
Related reactions
1 records
Compound notes
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