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Basic information
- CAS
7583-08-6- Standard SMILES
CC(O)c1c(F)c(F)c(F)c(F)c1F- InChIKey
WYUNHWKTLDBPLE-UHFFFAOYSA-N- Molecular formula
- C8H5F5O
- Average molar mass
- 212.12 g/mol
- Monoisotopic mass
- 212.02605559
Names & identifiers
- Preferred name
- 1-(Pentafluorophenyl)ethanol
- IUPAC
- 1-(2,3,4,5,6-pentafluorophenyl)ethanol
- English name
- 1-(Pentafluorophenyl)ethanol, 97
- Molecular formula
- C8H5F5O
- Molecular weight
- 212.12
Names & synonyms
1-(Pentafluorophenyl)ethanol830-50-275853-08-6EINECS 212-597-72,3,4,5,6-Pentafluoro-alpha-methylbenzyl alcoholNSC 970142,3,4,5,6-Pentafluoro-.alpha.-methylbenzyl alcoholBenzenemethanol, 2,3,4,5,6-pentafluoro-.alpha.-methyl-RefChem:74766Benzenemethanol, 2,3,4,5,6-pentafluoro-alpha-methyl-212-597-7679-813-3
Show more names
1-(Pentafluorophenyl)ethanol,96%2-Methyl-pentafluorobenzylalcohol1-(2,3,4,5,6-Pentafluorophenyl)-ethanol2,3,4,5,6-pentafluoro-α-methylbenzyl alcohol2,3,4,5,6-pentafluoro-α-methylbenzyl alcoholα-Methyl-2,3,4,5,6-pentafluorobenzenemethanol
WYUNHWKTLDBPLE-UHFFFAOYSA-N1-(2,3,4,5,6-Pentafluorophenyl)ethanol1-(perfluorophenyl)ethanol1-(Pentafluorophenyl)ethanol ,1-(PENTAFLUOROPHENYL)ETHANOL, 97MFCD000045101-(Perfluorophenyl)ethan-1-ol7583-08-6
Database identifiers
- CAS
7583-08-6、75853-08-6、830-50-2- PubChem CID
- 98288
- DTXSID
DTXSID50997214- EC Number
- 212-597-7、671-200-9、679-813-3
- Nikkaji
- J195.093B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 34 · 34-37°C
- Boiling point
- 102 · 102-103°C/30mm
- Density
- 1.498 · 1.498±0.06 g/cm3(Predicted)
- refractive index
- 1.44 · 1.44
- Flash point
- 87 °C · 87°C
- storage temp.
- 2 · 2-8°C
- pka
- 13.14 · 13.14±0.20(Predicted)
- form
- powder to lump to clear liquid
- color
- Light yellow to Yellow to Orange
- BRN
- 5268491 · 5268491
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 280 g-P305+P351+P338 · P280g-P305+P351+P338
- Hazard Codes
- Xi,F
- Risk Statements
- 36 · 36-11
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
H228 (97.4%): Flammable solid [Danger Flammable solids]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P210, P240, P241, P264+P265, P280, P305+P351+P338, P337+P317, and P370+P378 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)
Flam. Sol. 1 (97.4%)；Eye Irrit. 2 (100%)
Safety data
- hs_code
- 2906290090
- risk_code
- 36-11
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,F
- safety_code
- 26-36
- Hazard statements
- H315-H319
- Precautionary statements
- P280g-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers28 total
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Aceschem Inc.
Related reactions
4 records
Compound notes
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