Basic information
- CAS
50889-46-8- Standard SMILES
CCCCC(F)(F)C(=O)CP(=O)(OC)OC- InChIKey
CISDEVRDMKWPCP-UHFFFAOYSA-N- Molecular formula
- C9H17F2O4P
- Average molar mass
- 258.2 g/mol
- Monoisotopic mass
- 258.08325209
Names & identifiers
- Preferred name
- Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate
- IUPAC
- 1-dimethoxyphosphoryl-3,3-difluoroheptan-2-one
- English name
- Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate
- Molecular formula
- C9H17F2O4P
- Molecular weight
- 258.2
Names & synonyms
Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate50889-46-8DTXSID30455903RefChem:338384DTXCID20406722dimethyl(3,3-difluoro-2-oxoheptyl)phosphonate1-dimethoxyphosphoryl-3,3-difluoroheptan-2-oneMFCD11707108Dimethyl (2-oxo-3,3-difluoroheptyl)phosphonatePhosphonic acid, (3,3-difluoro-2-oxoheptyl)-, dimethyl ester(3,3-Difluoro-2-oxoheptyl)phosphonic acid dimethyl esterPhosphonic acid, P-(3,3-difluoro-2-oxoheptyl)-, dimethyl ester
Show more names
(2-Oxo-3,3-difluorooctyl) dimethyl phosphateDimethyl (3,3-difluoro-2-oxohept-1-yl)phosphonateDimethyl (3,3-difluoro-2-oxoheptyl)phosphonate 97%TIANFU CHEM--Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate
C9H17F2O4P1-dimethoxyphosphoryl-3,3-difluoro-heptan-2-one(3,3-Difluoro-2-oxo-heptyl)-phosphonic acid dimethyl esterXJ9VWU5KVUDimethyl-(2-oxo-3,3-difluoroheptyl)phosphonateSCHEMBL453783orb3143982SBB101991
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Boiling point
- 301 · 301.0±37.0 °C(Predicted)
- Density
- 1.162 · 1.162
- refractive index
- 1.42 · 1.42
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Dichloromethane, Chloroform, Ethyl Acetate, Tetrahydrofuran
- form
- Oil
- color
- Orange
- InChI
- InChI=1S/C9H17F2O4P/c1-4-5-6-9(10,11)8(12)7-16(13,14-2)15-3/h4-7H2,1-3H3
- InChIKey
- CISDEVRDMKWPCP-UHFFFAOYSA-N
- SMILES
- P(CC(=O)C(F)(F)CCCC)(=O)(OC)OC
- FDA UNII
- 9 VWU5KVU · XJ9VWU5KVU
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335-H373
- Precautionary statements
- 260 · P260-P301+P312-P280
- HS Code
Safety & regulation
Safety data
- hs_code
- 2931599090
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H302+H312+H332-H315-H319-H335-H373
- Precautionary statements
- P260-P301+P312-P280
Chemistry & industry
Applications
UsesDimethyl(3,3-difluoro-2-oxoheptyl)phosphonate (cas# 50889-46-8) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海恩氟佳科技有限公司15800445152 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Syntechem Co.,Ltd[email protected]
上海波以尔化工有限公司
Related reactions
87 records
Compound notes
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