Basic information
- CAS
718-64-9- Standard SMILES
OC(c1ccccc1)(C(F)(F)F)C(F)(F)F- InChIKey
IZPIZCAYJQCTNG-UHFFFAOYSA-N- Molecular formula
- C9H6F6O
- Average molar mass
- 244.13 g/mol
- Monoisotopic mass
- 244.03228378
Names & identifiers
- Preferred name
- alpha,alpha-Bis(trifluoromethyl)benzyl alcohol
- IUPAC
- 1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol
- English name
- 1,1,1,3,3,3-Hexafluoro-2-phenyl-2-propanol
- Molecular formula
- C9H6F6O
- Molecular weight
- 244.13
Names & synonyms
alpha,alpha-Bis(trifluoromethyl)benzyl alcoholEINECS 211-943-4Benzenemethanol, alpha,alpha-bis(trifluoromethyl)-Benzenemethanol, .alpha.,.alpha.-bis(trifluoromethyl)-DTXSID3061051NSC 96337RefChem:555062DTXCID0047119211-943-4718-64-91,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol1,1,1,3,3,3-Hexafluoro-2-phenyl-2-propanol
Show more names
HFABhexafluorocumyl alcohol1,1,1,3,3,3-H2-HYDROXY-2-PHENYLHEXAFLUOROPROPANE2,2,2,2,2,2,-HEXAFLUOROCUMYL ALCOHOL
(Hexafluoro-2-hydroxyisopropyl)benzeneHexafluoro-2-phenylpropan-2-olMFCD00040983hexafluoro-2-phenylisopropanol2,2,2,2',2',2'-Hexafluorocumyl alcoholHexafluoro-2-phenyl isopropanolHexafluoro-2-phenyl-2-propanolBis(trifluoromethyl)phenylcarbinol
Database identifiers
- CAS
718-64-9- PubChem CID
- 69748
- DTXSID
DTXSID3061051- ChEMBL
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Experimental & physicochemical properties
LogP3.41
Physicochemical properties
- Boiling point
- 160 °C · 160 °C(lit.)
- Density
- 1.45 g/mL · 1.45 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.415(lit.)
- Flash point
- 140 °F · 140 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- pka
- 9.2 · 9.20±0.10(Predicted)
- color
- Colorless to Almost colorless
- BRN
- 2053547 · 2053547
- InChI
- 1S/C9H6F6O/c10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6/h1-5,16H
- InChIKey
- IZPIZCAYJQCTNG-UHFFFAOYSA-N
- SMILES
- OC(c1ccccc1)(C(F)(F)F)C(F)(F)F
- CAS DataBase Reference
- 718 · 718-64-9(CAS DataBase Reference)
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
H226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (97.8%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1987 3/PG 3
- hs_code
- 29062990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanol, .alpha.,.alpha.-bis(trifluoromethyl)-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers63 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [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]
Related reactions
6 records
Compound notes
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