1-Methyl-1H-benzo[D]imidazol-2-YL(phenyl)phosphinic acid
Basic information
- CAS
172753-91-2- Standard SMILES
Cn1c(P(=O)(O)c2ccccc2)nc2ccccc21- InChIKey
BWJZHTJXOGNWEY-UHFFFAOYSA-N- Molecular formula
- C14H13N2O2P
- Average molar mass
- 272.24 g/mol
- Monoisotopic mass
- 272.07146466
Names & identifiers
- Preferred name
- 1-Methyl-1H-benzo[D]imidazol-2-YL(phenyl)phosphinic acid
- IUPAC
- (1-methylbenzimidazol-2-yl)-phenylphosphinic acid
- English name
- 2-[Hydroxy(phenyl)phosphoryl]-1-methyl-1H-benzimidazole
- Molecular formula
- C14H13N2O2P
- Molecular weight
- 272.24
Names & synonyms
172753-91-21-METHYL-1H-BENZO[D]IMIDAZOL-2-YL(PHENYL)PHOSPHINIC ACID(1-Methyl-1H-benzo[d]imidazol-2-yl)(phenyl)phosphinic acid(1-methylbenzimidazol-2-yl)-phenylphosphinic acid(1-Methyl-1H-benzimidazol-2-yl)phenylphosphinic acid(1-methylbenzimidazol-2-yl)phenylphosphinic acidIFLab1_004144Oprea1_154851DTXSID00353028MFCD01238471AKOS001030181DB-017603
Show more names
(1-Methyl-1H-benzoimidazol-2-yl)-phenyl-phosphinic acid2-[Hydroxy(phenyl)phosphoryl]-1-methyl-1H-benzimidazolePhosphinic acid, P-(1-methyl-1H-benzimidazol-2-yl)-P-phenyl-
ST50165324AB00709258-01Z56759387(1-methyl-1H-1,3-benzodiazol-2-yl)(phenyl)phosphinic acid(1-Methyl-1H-benzo[d]imidazol-2-yl)(phenyl)phosphinicacid(1-Methyl-1H-1,3-benzimidazol-2-yl)(phenyl)phosphinic acid
Database identifiers
- CAS
172753-91-2- PubChem CID
- 736450
- DTXSID
DTXSID00353028
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Boiling point
- 494.7 · 494.7±28.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 1.97 · 1.97±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P301+P312
- HS Code
- 2933299090 · 2933299090
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
- hs_code
- 2933299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P301+P312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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