Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphate
Basic information
- CAS
70624-16-7- Standard SMILES
Cc1cc(OP(=O)(Oc2cc(C)cc([N+](=O)[O-])c2)Oc2cc(C)cc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1- InChIKey
NYUYNOJFDIQXGE-UHFFFAOYSA-N- Molecular formula
- C21H18N3O10P
- Average molar mass
- 503.4 g/mol
- Monoisotopic mass
- 503.07298078
Names & identifiers
- Preferred name
- Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphate
- IUPAC
- tris(3-methyl-5-nitrophenyl) phosphate
- English name
- Phosphoric acid tris(3-methyl-5-nitrophenyl) ester
- Molecular formula
- C21H18N3O10P
- Molecular weight
- 503.36
Names & synonyms
Phenol, 3-methyl-5-nitro-, phosphate (3:1) (ester)DTXSID3072080Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphatePhosphoric acid, tris(3-methyl-5-nitrophenyl)esterRefChem:172775DTXCID604671370624-16-7tris(3-methyl-5-nitrophenyl) phosphateNYUYNOJFDIQXGE-UHFFFAOYSA-NPhosphoric acid tris(3-methyl-5-nitrophenyl) ester
Database identifiers
- CAS
70624-16-7- PubChem CID
- 112436
- DTXSID
DTXSID3072080- Nikkaji
- J441.349K
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 723
Physicochemical properties
- EPA Substance Registry System
- 3 · Phenol, 3-methyl-5-nitro-, phosphate (3:1) (ester) (70624-16-7)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 3-methyl-5-nitro-, 1,1',1''-phosphate: INACTIVE
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Compound notes
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