Basic information
- CAS
1006376-61-9- Standard SMILES
CCOC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1- InChIKey
WKJJNMWERMSARF-DTWKUNHWSA-N- Molecular formula
- C12H12F2O2
- Average molar mass
- 226.22 g/mol
- Monoisotopic mass
- 226.08053595
Names & identifiers
- Preferred name
- Ethyl (1R,2R)-2-(3,4-difluorophenyl)cyclopropanecarboxylate
- IUPAC
- trans-ethyl (1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxylate
- English name
- (1R,2R)-ethyl2-(3,4-difluorophenyl)cyclopropane carboxylate
- Molecular formula
- C12H12F2O2
- Molecular weight
- 226.22
Names & synonyms
1006376-61-9Ethyl (1R,2R)-2-(3,4-Difluorophenyl)cyclopropanecarboxylateXP92GC94EGEthyl 2-(3,4-difluorophenyl)cyclopropanecarboxylate, (1R,2R)-RefChem:1084648(1R,2R)-Ethyl 2-(3,4-difluorophenyl)cyclopropanecarboxylateethyl (1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxylateTicagrelor Impurity 82MFCD22419930Cyclopropanecarboxylic acid, 2-(3,4-difluorophenyl)-, ethyl ester, (1R,2R)-(1R,2R)-trans-Ethyl 2-(3,4-difluorophenyl)cyclopropanecarboxylate1590376-14-9
Show more names
Ticagrelor Impurity 120Ticagrelor-21Ticagrelor Impurity 135(1R,2R)-ethyl2-(3,4-difluorophenyl)cyclopropane carboxylateethyl(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxylate(1R,2R)-2-(3,4-Difluorophenyl)cyclopropan-1-carboxylic acid ethyl esterCyclopropanecarboxylic acid, 2-(3,4-difluorophenyl)-, ethyl ester,(1R,2R)-
WKJJNMWERMSARF-DTWKUNHWSA-NY5XHM55EF6SCHEMBL245425(1R,2R)-2-(3,4-Difluorophenyl)cyclopropanecarboxylic acid ethyl esterSCHEMBL30782701DTXSID30725431(1R,2R)-Ethyl2-(3,4-difluorophenyl)cyclopropanecarboxylateCS-B0684
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 262.7 · 262.7±40.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses(1R,2R)-trans-Ethyl 2-(3,4-difluorophenyl)cyclopropanecarboxylate is a useful chemical in studying the inhibitory effect on ADP-induced platelet aggregation of ticagrelor derivatives as antiplatelet agents.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers54 total
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司
Related reactions
3 records
Compound notes
Loading…