Bis-(3-nitrophenyl)-methylphosphine oxide
Basic information
- CAS
31638-90-1- Standard SMILES
CP(=O)(c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1- InChIKey
WCWJDBLSRZWRFC-UHFFFAOYSA-N- Molecular formula
- C13H11N2O5P
- Average molar mass
- 306.21 g/mol
- Monoisotopic mass
- 306.04055845
Names & identifiers
- Preferred name
- Bis-(3-nitrophenyl)-methylphosphine oxide
- IUPAC
- 1-[methyl-(3-nitrophenyl)phosphoryl]-3-nitrobenzene
- English name
- Bis-(3-nitrophenyl)-methylphosphine oxide
- Molecular formula
- C13H11N2O5P
- Molecular weight
- 306.21
Names & synonyms
BIS-(3-NITROPHENYL)-METHYLPHOSPHINE OXIDE31638-90-1RefChem:569364653-964-5methyl[bis(3-nitrophenyl)]phosphane oxideSTK367032AKOS005443909Methylbis(3-nitrophenyl)phosphine Oxidebis(m-nitrophenyl)methyl phosphine oxidePhosphine oxide, methylbis(3-nitrophenyl)-
Database identifiers
- CAS
31638-90-1- PubChem CID
- 4310100
- EC Number
- 653-964-5
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Melting point
- 190 °C · 190 °C
- Boiling point
- 445.6 · 445.6±30.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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