Basic information
- CAS
340-06-7- Standard SMILES
O[C@@H](c1ccccc1)C(F)(F)F- InChIKey
VNOMEAQPOMDWSR-ZETCQYMHSA-N- Molecular formula
- C8H7F3O
- Average molar mass
- 176.14 g/mol
- Monoisotopic mass
- 176.0448995
Names & identifiers
- Preferred name
- (+)-2,2,2-Trifluoro-1-phenylethanol
- IUPAC
- (1S)-2,2,2-trifluoro-1-phenylethanol
- English name
- (S)-(+)-alpha-(Trifluoromethyl)benzyl alcohol
- Molecular formula
- C8H7F3O
- Molecular weight
- 176.14
Names & synonyms
RefChem:390539(+)-2,2,2-Trifluoro-1-phenylethanol(S)-2,2,2-trifluoro-1-phenylethanol(S)-(+)-alpha-(Trifluoromethyl)benzyl alcohol(1S)-2,2,2-trifluoro-1-phenylethanolMFCD00077845(1S)-2,2,2-trifluoro-1-phenylethan-1-ol(s)-1-phenyltrifluoroethanolSCHEMBL1669527(1S)-(+)-1-Phenyl-2,2,2-trifluoroethan-1-ol(S)-222-Trifluoro-1-phenylethanolCS-0034203
Show more names
(1S)-1-Phenyl-2,2,2-trifluoroethanol(S)-2,2,2-TRIFLUORO-1-PHENYL-ETHANOL(1S)-2,2,2-Trifluoro-1-phenyl-ethanol(S)-α-(Trifluoromethyl)benzenemethanol(S)-2,2,2-trifluoro-1-phenylethan-1-ol(αS)-α-(Trifluoromethyl)benzenemethanol(S)-(+)-2,2,2-TRIFLUORO-1-PHENYLETHANOL(S)-(+)-α-(TRIFLUOROMETHYL)BENZYLALCOHOL
P1368(S)-(+)-1-Phenyl-2,2,2-trifluoroethanol(S)-(+)- alpha -(Trifluoromethyl)benzyl alcoholorb3029695BDBM108244DTXSID501357174Fr21299(+)-Phenyl(trifluoromethyl)carbinol
Database identifiers
- CAS
340-06-7- PubChem CID
- 1472401
- DTXSID
DTXSID501357174- Nikkaji
- J56.834A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 73 · 73-76 °C9 mm Hg(lit.)
- Density
- 1.3 g/mL · 1.3 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.462(lit.)
- Flash point
- 184 °F · 184 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Liquid
- pka
- 11.91 · 11.91±0.10(Predicted)
- color
- Clear colorless to pale yellow
- optical activity
- 20 · [α]20/D +31.3±0.5°, neat
- BRN
- 2327547 · 2327547
- InChI
- 1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H/t7-/m0/s1
- InChIKey
- VNOMEAQPOMDWSR-ZETCQYMHSA-N
- SMILES
- O[C@@H](c1ccccc1)C(F)(F)F
- UNSPSC Code
- 12352002 · 12352002
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety data
- F
- 10-23
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- hs_code
- 29062990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,C
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses(S)-(+)-α-(Trifluoromethyl)benzyl Alcohol is used in the synthesis of metal-organic framework compounds which may have mesoporous properties.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers78 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
JiangXi Bobert Imp&Exp Co.,LTD18071643627 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海康恩博科技有限公司（科小研试剂）400-1388-521 17673770086 · [email protected]
Related reactions
1 records
Compound notes
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