Basic information
- CAS
23561-36-6- Standard SMILES
O=[N+]([O-])c1ccc(OP(=O)(Cl)Cl)c(CCl)c1- InChIKey
KWKRRLZRKOWLBW-UHFFFAOYSA-N- Molecular formula
- C7H5Cl3NO4P
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 302.902178
Names & identifiers
- Preferred name
- Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester
- IUPAC
- 2-(chloromethyl)-1-dichlorophosphoryloxy-4-nitrobenzene
- English name
- Dichloridophosphoric acid 2-(chloromethyl)-4-nitrophenyl ester
- Molecular formula
- C7H5Cl3NO4P
- Molecular weight
- 304.45
Names & synonyms
23561-36-6Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl esterDTXSID0066909RefChem:862810DTXCID50368982-(chloromethyl)-1-dichlorophosphoryloxy-4-nitrobenzene2-(chloromethyl)-4-nitrophenyl phosphorodichloridateSCHEMBL9067213KWKRRLZRKOWLBW-UHFFFAOYSA-N2-Chloromethyl-4-nitrophenyl PhosphorodichloridateDichloridophosphoric acid 2-(chloromethyl)-4-nitrophenyl ester
Database identifiers
- CAS
23561-36-6- PubChem CID
- 90164
- DTXSID
DTXSID0066909- Nikkaji
- J422.119B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 408.4 · 408.4±35.0 °C(Predicted)
- Density
- 1.66 · 1.660±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester (23561-36-6)
- 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 InformationPhosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester: INACTIVE
Suppliers1 total
凯方医药科技有限公司—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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