Basic information
- CAS
653-31-6- Standard SMILES
OCCc1c(F)c(F)c(F)c(F)c1F- InChIKey
UBDFNSASHPESJX-UHFFFAOYSA-N- Molecular formula
- C8H5F5O
- Average molar mass
- 212.12 g/mol
- Monoisotopic mass
- 212.02605559
Names & identifiers
- Preferred name
- 2,3,4,5,6-Pentafluorophenethyl alcohol
- IUPAC
- 2-(2,3,4,5,6-pentafluorophenyl)ethanol
- English name
- 2-(Pentafluorophenyl)ethanol
- Molecular formula
- C8H5F5O
- Molecular weight
- 212.12
Names & synonyms
653-31-62,3,4,5,6-Pentafluorophenethyl alcohol3U2QK7J92A2,3,4,5,6-PENTAFLUOROBENZENEETHANOLEINECS 211-499-1NSC-96899Benzeneethanol, 2,3,4,5,6-pentafluoro-DTXSID70215644NSC 96899RefChem:81229DTXCID00138135211-499-1
Show more names
2-(Perfluorophenyl)ethano2-Pentafluorophenyllethanol
2-(Pentafluorophenyl)ethanol2-(Perfluorophenyl)ethanol2-(2,3,4,5,6-pentafluorophenyl)ethanolMFCD000423312-(2,3,4,5,6-pentafluorophenyl)ethan-1-ol2-(pentafluorophenyl)ethan-1-olNSC96899UNII-3U2QK7J92A
Database identifiers
- CAS
653-31-6- PubChem CID
- 69555
- DTXSID
DTXSID70215644- UNII
- 3U2QK7J92A
- EC Number
- 211-499-1
- Nikkaji
- J205.939H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 89 · 89-90°C 6mm
- Density
- 1 · 1,525 g/cm3
- storage temp.
- 2 · 2-8°C
- pka
- 14.36 · 14.36±0.10(Predicted)
- FDA UNII
- 3 U2QK7J92A · 3U2QK7J92A
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HazardClass
- IRRITANT
- HS Code
- 2914500090 · 2914500090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2914500090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers26 total
Qi-Chem Co., Ltd.+86-041188165951 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
杭州安凯生物医药有限公司+86-0571-28186870; +undefined8613073685410 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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