Basic information
- CAS
905-14-6- Standard SMILES
CCOP(=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1- InChIKey
KJZNHLRQOUWNFF-UHFFFAOYSA-N- Molecular formula
- C14H13N2O8P
- Average molar mass
- 368.23 g/mol
- Monoisotopic mass
- 368.04095237
Names & identifiers
- Preferred name
- O-Ethyl O,O-bis(4-nitrophenyl) phosphorate
- IUPAC
- ethyl bis(4-nitrophenyl) phosphate
- English name
- Ethyl bis(p-nitrophenol) phosphate
- Molecular formula
- C14H13N2O8P
- Molecular weight
- 368.24
Names & synonyms
905-14-6O-ETHYL O,O-BIS(4-NITROPHENYL) PHOSPHORATEDTXSID20238181RefChem:366457DTXCID40160672ethyl bis(4-nitrophenyl) phosphateRibavirin Impurity 11Ribavirin Impurity 41CHEMBL301733SCHEMBL6259754bis(4-nitrophenyl) ethyl phosphateAsciminib Impurity 22
Show more names
Paracetamol Impurity 35Ethyl bis(p-nitrophenol) phosphatePhosphoric acid, ethyl bis(4-nitrophenyl) ester
Database identifiers
- CAS
905-14-6- PubChem CID
- 13485
- DTXSID
DTXSID20238181- ChEMBL
CHEMBL301733- Nikkaji
- J1.145.359G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- Melting point
- 135 °C · 135 °C
- Boiling point
- 486.2 · 486.2±45.0 °C(Predicted)
- Density
- 1.458 · 1.458±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers8 total
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
武汉创浩生物科技有限公司13361917963 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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