Tris(2-nitrophenyl) phosphate
Basic information
- CAS
3862-05-3- Standard SMILES
O=[N+]([O-])c1ccccc1OP(=O)(Oc1ccccc1[N+](=O)[O-])Oc1ccccc1[N+](=O)[O-]- InChIKey
LASOLDQRFPFANT-UHFFFAOYSA-N- Molecular formula
- C18H12N3O10P
- Average molar mass
- 461.3 g/mol
- Monoisotopic mass
- 461.02603059
Names & identifiers
- Preferred name
- Tris(2-nitrophenyl) phosphate
- IUPAC
- tris(2-nitrophenyl) phosphate
- English name
- 1-bis(2-nitrophenoxy)phosphoryloxy-2-nitro-benzene
- Molecular formula
- C18H12N3O10P
- Molecular weight
- 0
Names & synonyms
tris(2-nitrophenyl) phosphate3862-05-3DTXSID60280482RefChem:386627DTXCID60231636941-513-8NSC17113o-nitrophenylphosphateSCHEMBL36924NSC-171131-bis(2-nitrophenoxy)phosphoryloxy-2-nitro-benzene
Database identifiers
- CAS
3862-05-3- PubChem CID
- 226547
- DTXSID
DTXSID60280482- EC Number
- 941-513-8
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 641
Physicochemical properties
- Comptox DTXSID
- 60280482 · DTXSID60280482
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H370 (100%): Causes damage to organs [Danger Specific target organ toxicity, single exposure]
P260, P264, P270, P273, P308+P316, P321, P391, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSTOT SE 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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