Diethyl (bromomethyl)phosphonate
Basic information
- CAS
66197-72-6- Standard SMILES
CCOP(=O)(CBr)OCC- InChIKey
DOXOAUCOLUGCQX-UHFFFAOYSA-N- Molecular formula
- C5H12BrO3P
- Average molar mass
- 231.02 g/mol
- Monoisotopic mass
- 229.97074
Names & identifiers
- Preferred name
- Diethyl (bromomethyl)phosphonate
- IUPAC
- 1-[bromomethyl(ethoxy)phosphoryl]oxyethane
- English name
- BroMoMethyl -phosphonic acid diethyl ester
- Molecular formula
- C5H12BrO3P
- Molecular weight
- 231.02
Names & synonyms
diethyl (bromomethyl)phosphonateRefChem:587027867-895-566197-72-61-[bromomethyl(ethoxy)phosphoryl]oxyethaneDiethyl bromomethylphosphonateBroMoMethyl -phosphonic acid diethyl esterDiethyl bromomethanephosphonateMFCD00972940Phosphonic acid, (bromomethyl)-, diethyl esterBromomethyl-phosphonic acid diethyl esterBromomethylphosphonic acid diethyl ester
Show more names
Diethyl P-(bromomethyl)phosphonateBromomethyl phosphonate diethyl esterBromomethyl-phosphonic acid diethyl este
Tenofovir Impurity 170Phosphonic acid, P-(bromomethyl)-, diethyl esterdiethyl 2-bromethylphosphonatediethyl(bromomethyl)phosphonateSCHEMBL736874Diethyl bromomethylphosphonate #DTXSID40336431Brommethanphosphonsaeurediethylester
Database identifiers
- CAS
66197-72-6- PubChem CID
- 533734
- DTXSID
DTXSID40336431- EC Number
- 867-895-5
- Nikkaji
- J631.404J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Boiling point
- 99 °C · 99 °C(Press: 1 Torr)
- Density
- 1.4474 g/cm3 · 1.4474 g/cm3
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Suppliers
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Related reactions
2 records
Compound notes
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