1-(2-Fluoroethyl)cyclopropane-1-carboxylic acid
Basic information
- CAS
1507196-28-2- Standard SMILES
O=C(O)C1(CCF)CC1- InChIKey
SPIRZTILNURCMJ-UHFFFAOYSA-N- Molecular formula
- C6H9FO2
- Average molar mass
- 132.13 g/mol
- Monoisotopic mass
- 132.05865769
Names & identifiers
- Preferred name
- 1-(2-Fluoroethyl)cyclopropane-1-carboxylic acid
- IUPAC
- 1-(2-fluoroethyl)cyclopropane-1-carboxylic acid
- English name
- 1-(2-fluoroethyl)cyclopropane-1-carboxylic acid
- Molecular formula
- C6H9FO2
- Molecular weight
- 132.13
Names & synonyms
1-(2-fluoroethyl)cyclopropane-1-carboxylic acid1507196-28-2RefChem:422058959-732-2HKC19628AKOS019264301AT159541-(2-Fluoroethyl)cyclopropanecarboxylic Acid1-(2-fluoroethyl)cyclopropane-1-carboxylicacidEN300-217709Cyclopropanecarboxylic acid, 1-(2-fluoroethyl)-
Database identifiers
- CAS
1507196-28-2- PubChem CID
- 80697265
- EC Number
- 959-732-2
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 222.3 · 222.3±5.0 °C(Predicted)
- Density
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- pka
- 4.51 · 4.51±0.20(Predicted)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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