Basic information
- CAS
604-94-4- Standard SMILES
O=C1C(=O)c2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc21- InChIKey
NLYJKDKBQGPHLE-UHFFFAOYSA-N- Molecular formula
- C14H6N2O6
- Average molar mass
- 298.21 g/mol
- Monoisotopic mass
- 298.02258592
Names & identifiers
- Preferred name
- 9,10-Phenanthrenedione, 2,7-dinitro-
- IUPAC
- 2,7-dinitrophenanthrene-9,10-dione
- English name
- 2,7-Dinitro-9,10-phenanthrenedione
- Molecular formula
- C14H6N2O6
- Molecular weight
- 298.21
Names & synonyms
2,7-Dinitro-9,10-phenanthrenedione604-94-42,7-Dinitrophenanthraquinone9,10-Phenanthrenedione, 2,7-dinitro-2,7-DinitrophenanthrenequinoneBRN 2005178Phenanthrenequinone, 2,7-dinitro-DTXSID302091604-07-00-02569 (Beilstein Handbook Reference)NSC 33530RefChem:312617DTXCID50131651
Show more names
9,10-Phenanthrenedione, 2,7-dinitro-(9CI)2,7-dinitrophenanthrene-9,10-dione2,7-Dinitro-phenanthrene-9,10-dioneCHEMBL300680MFCD00701113NSC33530Neuro_0000179,10-Phenanthrenedione, 2,7-dinitro- (9CI)
Database identifiers
- CAS
604-94-4- PubChem CID
- 95759
- DTXSID
DTXSID30209160- ChEMBL
CHEMBL300680- Nikkaji
- J6.818G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 488
Physicochemical properties
- Melting point
- 302 · 302-304 °C
- Boiling point
- 555.9 · 555.9±43.0 °C(Predicted)
- Density
- 1.631 · 1.631±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Light yellow to yellow Solid
- 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
Upstream & downstream products
Downstream products
Suppliers27 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
Shanghai Safer Pharmaceutical Technology Co., Ltd.021-31761238 · [email protected]
吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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