Basic information
- CAS
80395-10-4- Standard SMILES
O=P(O)(O)Cc1c(Cl)cccc1Cl- InChIKey
CPPHQOFUDIOVLN-UHFFFAOYSA-N- Molecular formula
- C7H7Cl2O3P
- Average molar mass
- 241 g/mol
- Monoisotopic mass
- 239.95098607
Names & identifiers
- Preferred name
- 2,6-Dichlorobenzylphosphonic acid
- IUPAC
- (2,6-dichlorophenyl)methylphosphonic acid
- English name
- (2,6-dichlorobenzyl)phosphonic acid, 98 %
- Molecular formula
- C7H7Cl2O3P
- Molecular weight
- 241.01
Names & synonyms
80395-10-4(2,6-DICHLOROBENZYL)PHOSPHONIC ACID2,6-dichlorobenzylphosphonic acid(2,6-dichlorophenyl)methylphosphonic acidMFCD05155650[(2,6-dichlorophenyl)methyl]phosphonic acidC7H7Cl2O3PAJ-087/41885596MLS000701621CHEMBL1465750SCHEMBL11307755DTXSID00365282
Show more names
(2,6-dichlorobenzyl)phosphonic acid, 98 %Phosphonic acid, [(2,6-dichlorophenyl)methyl]- (9CI)
CPPHQOFUDIOVLN-UHFFFAOYSA-NHMS2591A24AKOS017345017SMR000226762
Database identifiers
- CAS
80395-10-4- PubChem CID
- 1815411
- DTXSID
DTXSID00365282- ChEMBL
CHEMBL1465750
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 433.4 · 433.4±55.0 °C(Predicted)
- Density
- 1.619 · 1.619±0.06 g/cm3(Predicted)
- pka
- 1.89 · 1.89±0.10(Predicted)
Chemistry & industry
Suppliers4 total
上海仲因实业有限公司2537653158 16621191650 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
Related reactions
1 records
Compound notes
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