Basic information
- CAS
67570-38-1- Standard SMILES
CC(C)(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
CLPUBDXEFYRXMU-UHFFFAOYSA-N- Molecular formula
- C11H10F6O
- Average molar mass
- 272.19 g/mol
- Monoisotopic mass
- 272.06358391
Names & identifiers
- Preferred name
- 2-(3,5-Bis(trifluoromethyl)phenyl)propan-2-ol
- IUPAC
- 2-[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
- English name
- 2-[3,5-Bis(trifluoromethyl)phenyl]propan-2-ol
- Molecular formula
- C11H10F6O
- Molecular weight
- 272.19
Names & synonyms
2-(3,5-Bis(trifluoromethyl)phenyl)propan-2-ol67570-38-12-[3,5-bis(trifluoromethyl)phenyl]propan-2-ol2-(3,5-bis-trifluoromethyl-phenyl)-propan-2-olMaybridge3_001185SCHEMBL7216715DTXSID90347375HMS1434F19MFCD00278435AKOS015890410CCG-242324IDI1_012572
Show more names
2-[3,5-bis(trifluoromethyl)phenyl]-2-propanolBenzenemethanol, α,α-dimethyl-3,5-bis(trifluoromethyl)-
DB-073900EN300-19293322-[3,5-Bis(trifluoromethyl)phenyl]-2-propanol #Propan-2-ol, 2-[3,5-bis(trifluoromethyl)phenyl]-
Database identifiers
- CAS
67570-38-1- PubChem CID
- 620779
- DTXSID
DTXSID90347375- EC Number
- 182-725-3
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
- 18
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- 62.5 · 62.5-63.5 °C(Solv: pentane (109-66-0))
- Boiling point
- 184.2 · 184.2±35.0 °C(Predicted)
- Density
- 1.333 · 1.333±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.05 · 14.05±0.29(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 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Chemistry & industry
Suppliers10 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
3 records
Compound notes
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