rac-(1R,2R)-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
Basic information
- CAS
161711-27-9- Standard SMILES
O=C(O)[C@@H]1C[C@H]1c1ccc(F)cc1- InChIKey
QJJWMUZHTDQZDW-DTWKUNHWSA-N- Molecular formula
- C10H9FO2
- Average molar mass
- 180.17 g/mol
- Monoisotopic mass
- 180.05865769
Names & identifiers
- Preferred name
- rac-(1R,2R)-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
- IUPAC
- trans-(1R,2R)-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
- English name
- (1R,2R)-2-(4-Fluoro-phenyl)-cyclopropanecarboxylic acid
- Molecular formula
- C10H9FO2
- Molecular weight
- 180.18
Names & synonyms
175275-74-8rac-(1R,2R)-2-(4-fluorophenyl)cyclopropane-1-carboxylic acidRefChem:872462823-968-3(1R,2R)-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid161711-27-9(1R,2R)-2-(4-Fluorophenyl)cyclopropanecarboxylic Acidrel-(1R,2R)-2-(4-Fluorophenyl)cyclopropane-1-carboxylic acidrel-(1R,2R)-2-(4-Fluorophenyl)cyclopropanecarboxylic acidtrans-2-(4-fluorophenyl)cyclopropanecarboxylic acidMFCD30717787rac-(1R,2R)-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid, trans
Show more names
Monofluoro Acid Impurity Reference StandardCyclopropanecarboxylic acid, 2-(4-fluorophenyl)-, (1R,2R)-
AC9772(1R,2R)-2-(4-Fluoro-phenyl)-cyclopropanecarboxylic acidCS-0047731(trans)-2-(4-fluoro-phenyl)-cyclopropane-carboxylic acidTicagrelor Impurity 335SCHEMBL1839154YQF3703QJJWMUZHTDQZDW-DTWKUNHWSA-N
Database identifiers
- CAS
161711-27-9、175275-74-8- PubChem CID
- 10535366
- EC Number
- 823-968-3、876-187-5
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 313.9 · 313.9±42.0 °C(Predicted)
- Density
- 1.345 · 1.345±0.06 g/cm3(Predicted)
- pka
- 4.56 · 4.56±0.10(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310+P330-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310+P330-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
6 records
Compound notes
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