Phosphonic acid, butyl-, ethyl p-nitrophenyl ester
Basic information
- CAS
3015-74-5- Standard SMILES
CCCCP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1- InChIKey
MEVAOLBLFMAOEV-UHFFFAOYSA-N- Molecular formula
- C12H18NO5P
- Average molar mass
- 287.25 g/mol
- Monoisotopic mass
- 287.09225967
Names & identifiers
- Preferred name
- Phosphonic acid, butyl-, ethyl p-nitrophenyl ester
- IUPAC
- 1-[butyl(ethoxy)phosphoryl]oxy-4-nitrobenzene
- English name
- Butylphosphonic acid ethyl p-nitrophenyl ester
- Molecular formula
- C12H18NO5P
- Molecular weight
- 287.25
Names & synonyms
3015-74-5Phosphonic acid, butyl-, ethyl p-nitrophenyl esterRefChem:1095169p-Nitrophenyl ethyl butylphosphonateBRN 3401399ETHYL 4-NITROPHENYL BUTYLPHOSPHONATEButylphosphonic acid ethyl p-nitrophenyl ester4-06-00-01321 (Beilstein Handbook Reference)DTXSID80952558MEVAOLBLFMAOEV-UHFFFAOYSA-NButylphosphonic acid, ethyl 4-nitrophenyl esterPhosphonic acid, butyl-, ethyl 4-nitrophenyl ester (9CI)
Database identifiers
- CAS
3015-74-5- PubChem CID
- 76390
- DTXSID
DTXSID80952558- Nikkaji
- J50.276F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Toxicity
- 50 scu-mus: · LD50 scu-mus: 1200 mg/kg RPTOAN 42,106,79
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
- Toxicity
- LD50 scu-mus: 1200 mg/kg RPTOAN 42,106,79
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…