Basic information
- CAS
2266-48-0- Standard SMILES
CCOC(=O)C(F)(F)C(C)=O- InChIKey
NXMSOLWESKBEJJ-UHFFFAOYSA-N- Molecular formula
- C6H8F2O3
- Average molar mass
- 166.12 g/mol
- Monoisotopic mass
- 166.04415044
Names & identifiers
- Preferred name
- Ethyl 2,2-difluoro-3-oxobutanoate
- IUPAC
- ethyl 2,2-difluoro-3-oxobutanoate
- English name
- Ethyl 2,2-difluoroacetoacetate
- Molecular formula
- C6H8F2O3
- Molecular weight
- 166.12
Names & synonyms
2266-48-0ETHYL 2,2-DIFLUORO-3-OXOBUTANOATEEthyl 2,2-difluoroacetoacetate2,2-DIFLUORO-3-OXO-BUTYRIC ACID ETHYL ESTER2,2-DIFLUORO-3-OXOBUTYRIC ACID ETHYL ESTERButanoic acid, 2,2-difluoro-3-oxo-, ethyl esterSCHEMBL125138DTXSID00427056NXMSOLWESKBEJJ-UHFFFAOYSA-NMFCD00190633AKOS005207272FD86862
Show more names
2,2-difluoro-acetoaceticacidethylesterETHYL 2,2-DIFLUOROACETOACETATE: TECH., 90%
ETHYL2,2-DIFLUORO-3-OXOBUTANOATEEN300-153092
Database identifiers
- CAS
2266-48-0- PubChem CID
- 7019019
- DTXSID
DTXSID00427056- Nikkaji
- J1.443.202G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 177
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 162 °C · 162°C
- Density
- 1.2726 g/cm3 · 1.2726 g/cm3(Temp: 0 °C)
- refractive index
- 1.407 · 1.4070
- Flash point
- 162 °C · 162°C
- storage temp.
- 2 · 2-8°C
- BRN
- 1769592 · 1769592
- CAS DataBase Reference
- 2266 · 2266-48-0(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 10 · 10-36/38
- Safety Statements
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
- ridadr
- 1993
- hs_code
- 2918300090
- risk_code
- 10-36/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- safety_code
- 16-26-36
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H225-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers36 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
医恩医疗系统研发（上海）有限公司021-58958002 18930822973 · [email protected]
广东谦进化学试剂有限公司0751-2818792 13435114148 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
苏州中博化工科技有限公司15250602200 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
厦门志信化学有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…