2-(Difluoromethyl)cyclopropane-1-carboxylic acid
Basic information
- CAS
1314960-20-7- Standard SMILES
O=C(O)C1CC1C(F)F- InChIKey
AQPYFAYLGMEWCD-UHFFFAOYSA-N- Molecular formula
- C5H6F2O2
- Average molar mass
- 136.1 g/mol
- Monoisotopic mass
- 136.03358575
Names & identifiers
- Preferred name
- 2-(Difluoromethyl)cyclopropane-1-carboxylic acid
- IUPAC
- 2-(difluoromethyl)cyclopropane-1-carboxylic acid
- English name
- 2-(Difluoromethyl)cyclopropanecarboxylic Acid
- Molecular formula
- C5H6F2O2
- Molecular weight
- 136.1
Names & synonyms
1314960-20-72-(difluoromethyl)cyclopropane-1-carboxylic acidRefChem:460707888-713-02-(Difluoromethyl)cyclopropanecarboxylic AcidMFCD19231567cis-2-(difluoromethyl)cyclopropanecarboxylic acid2278284-80-1SCHEMBL20499041YQF0869AQPYFAYLGMEWCD-UHFFFAOYSA-NDRD28480
Show more names
Cyclopropanecarboxylic acid, 2-(difluoromethyl)-2-(difluoromethyl)cyclopropanecarboxylic acid - [D82313]
IKB44358AKOS006383987PB42133PB43694PS-20496SY2675022-(difluoromethyl)cyclopropane-1-carboxylicacidEN300-203790
Database identifiers
- CAS
1314960-20-7- PubChem CID
- 55302003
- EC Number
- 888-713-0
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Boiling point
- 208.5 · 208.5±15.0 °C(Predicted)
- Density
- 1.425 · 1.425±0.06 g/cm3(Predicted)
- pka
- 4.17 · 4.17±0.11(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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