4,7-difluoro-2,3-dihydro-1H-inden-1-ol
Basic information
- CAS
130408-17-2- Standard SMILES
OC1CCc2c(F)ccc(F)c21- InChIKey
RZXSYFQBZXUXMP-UHFFFAOYSA-N- Molecular formula
- C9H8F2O
- Average molar mass
- 170.16 g/mol
- Monoisotopic mass
- 170.0543212
Names & identifiers
- Preferred name
- 4,7-difluoro-2,3-dihydro-1H-inden-1-ol
- IUPAC
- 4,7-difluoro-2,3-dihydro-1H-inden-1-ol
- English name
- 4,7-Difluoro-2,3-dihydro-1H-inden-1-ol
- Molecular formula
- C9H8F2O
- Molecular weight
- 170.16
Names & synonyms
4,7-difluoro-2,3-dihydro-1H-inden-1-ol130408-17-2DTXSID60344593RefChem:286054DTXCID702956684,7-Difluoro-1-indanolMFCD112195164,7-Difluoro-1-indanol #RZXSYFQBZXUXMP-UHFFFAOYSA-NAKOS0106426051H-Inden-1-ol, 4,7-difluoro-2,3-dihydro-EN300-114723
Show more names
N13001Z815114674
Database identifiers
- CAS
130408-17-2- PubChem CID
- 598153
- DTXSID
DTXSID60344593- EC Number
- 996-248-0
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 221.8 · 221.8±40.0 °C(Predicted)
- Density
- 1.373 · 1.373±0.06 g/cm3(Predicted)
- pka
- 13.4 · 13.40±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
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%)
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Related reactions
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Compound notes
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