Basic information
- CAS
7251-00-5- Standard SMILES
O=c1c2ccccc2[nH]c2ccc([N+](=O)[O-])cc12- InChIKey
MJYGRUSMTCUJGK-UHFFFAOYSA-N- Molecular formula
- C13H8N2O3
- Average molar mass
- 240.21 g/mol
- Monoisotopic mass
- 240.05349212
Names & identifiers
- Preferred name
- 9(10H)-Acridinone, 2-nitro-
- IUPAC
- 2-nitro-10H-acridin-9-one
- English name
- 2-nitro-10H-acridin-9-one
- Molecular formula
- C13H8N2O3
- Molecular weight
- 240.21
Names & synonyms
7251-00-59(10H)-Acridinone, 2-nitro-NSC 30404NSC 191302AI3-63046DTXSID80222824RefChem:312445DTXCID101453152-nitroacridin-9(10h)-one2-nitro-10H-acridin-9-one2-nitroacridoneCHEMBL2042467
Show more names
NSC-30404NSC-1913022-Nitro-9-acridoneHU4C6L6R6L2-Nitro-9(10H)-acridinoneSCHEMBL21828651SCHEMBL29519210MJYGRUSMTCUJGK-UHFFFAOYSA-N
Database identifiers
- CAS
7251-00-5- PubChem CID
- 95706
- DTXSID
DTXSID80222824- ChEMBL
CHEMBL2042467- UNII
- HU4C6L6R6L
- Nikkaji
- J2.362.180K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Melting point
- 360 °C · >360 °C
- Boiling point
- 443.1 · 443.1±34.0 °C(Predicted)
- Density
- 1.409 · 1.409±0.06 g/cm3(Predicted)
- pka
- -3.77 · -3.77±0.50(Predicted)
- FDA UNII
- 4 C6L6R6L · HU4C6L6R6L
- 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
Suppliers2 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…