2,2-Difluoro-2-(1-hydroxycyclobutyl)acetic acid
Basic information
- CAS
681240-09-5- Standard SMILES
O=C(O)C(F)(F)C1(O)CCC1- InChIKey
OTAIIWWWPNARPR-UHFFFAOYSA-N- Molecular formula
- C6H8F2O3
- Average molar mass
- 166.12 g/mol
- Monoisotopic mass
- 166.04415044
Names & identifiers
- Preferred name
- 2,2-Difluoro-2-(1-hydroxycyclobutyl)acetic acid
- IUPAC
- 2,2-difluoro-2-(1-hydroxycyclobutyl)acetic acid
- English name
- 2,2-difluoro-2-(1-hydroxycyclobutyl)acetic acid
- Molecular formula
- C6H8F2O3
- Molecular weight
- 166.1227264
Names & synonyms
2,2-difluoro-2-(1-hydroxycyclobutyl)acetic acid681240-09-5RefChem:440987856-603-1MFCD16749774SCHEMBL15114532OTAIIWWWPNARPR-UHFFFAOYSA-NGCB24009AKOS011684980AB92679SY145255E72804
Show more names
Cyclobutaneacetic acid, α,α-difluoro-1-hydroxy-
EN300-1154442,2-difluoro-2-(1-hydroxycyclobutyl)aceticacidZ982139490
Database identifiers
- CAS
681240-09-5- PubChem CID
- 62397463
- EC Number
- 856-603-1
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 283.2 · 283.2±25.0 °C(Predicted)
- Density
- 1.579 · 1.579±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 1.28 · 1.28±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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