Basic information
- CAS
6313-44-6- Standard SMILES
O=C1c2ccccc2C([N+](=O)[O-])c2ccccc21- InChIKey
UWLBXNSHGLMXLU-UHFFFAOYSA-N- Molecular formula
- C14H9NO3
- Average molar mass
- 239.23 g/mol
- Monoisotopic mass
- 239.05824315
Names & identifiers
- Preferred name
- 9-Nitroanthrone
- IUPAC
- 10-nitro-10H-anthracen-9-one
- English name
- 10-Nitroanthrone
- Molecular formula
- C14H9NO3
- Molecular weight
- 239.23
Names & synonyms
6313-44-69-NitroanthroneCCRIS 3176NSC 3987978B77V5ZKN10-nitro-9(10H)-anthracenoneNSC-39879DTXSID902124739(10H)-Anthracenone, 10-nitro-RefChem:108036DTXCID9013496410-nitroanthracen-9(10h)-one
Show more names
10-nitro-2H-anthracen-1-one
10-NITROANTHRONE10-nitro-10H-anthracen-9-oneNSC39879UNII-78B77V5ZKNAKOS016004300
Database identifiers
- CAS
6313-44-6- PubChem CID
- 95860
- DTXSID
DTXSID90212473- UNII
- 78B77V5ZKN
- Nikkaji
- J683.515E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Melting point
- 136 · 136-138 °C
- Boiling point
- 414.2 · 414.2±45.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 5.42 · 5.42±0.20(Predicted)
- FDA UNII
- 78 B77V5ZKN · 78B77V5ZKN
Chemistry & industry
Applications
UsesUsed for organic synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers3 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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