2-(Trifluoromethyl)benzylic alcohol
Basic information
- CAS
346-06-5- Standard SMILES
OCc1ccccc1C(F)(F)F- InChIKey
TWQNSHZTQSLJEE-UHFFFAOYSA-N- Molecular formula
- C8H7F3O
- Average molar mass
- 176.14 g/mol
- Monoisotopic mass
- 176.0448995
Overview
[2-(Trifluoromethyl)phenyl]methanol is a member of (trifluoromethyl)benzenes.
Names & identifiers
- Preferred name
- 2-(Trifluoromethyl)benzylic alcohol
- IUPAC
- [2-(trifluoromethyl)phenyl]methanol
- English name
- 2-(Trifluoromethyl)benzyl alcohol
- Molecular formula
- C8H7F3O
- Molecular weight
- 176.14
Names & synonyms
346-06-52-(Trifluoromethyl)benzylic alcohol2-(Trifluoromethyl)benzenemethanolEINECS 206-467-9DTXSID10188166RefChem:462554DTXCID40110657206-467-92-(Trifluoromethyl)benzyl alcohol(2-(Trifluoromethyl)phenyl)methanol[2-(Trifluoromethyl)phenyl]methanolo-Trifluoromethylbenzyl alcohol
Show more names
OTF-BYLRARECHEM AL BD 00462-TRIFLUOROBENZYL ALCOHOLo-Trifluoromethylbenzyl alchol2-Hydroxymethylbenzotrifluoride2-TRIFLUOROMETHYL BENZENE METHANOL2-(Trifluoromethyl)benzylalcohol97%
2-(trifluoromethyl)benzylalcoholMFCD00004621Benzenemethanol, 2-(trifluoromethyl)-o-(trifluoromethyl)benzyl alcohol[2-(trifluoromethyl)phenyl]methan-1-ol2-trifluoromethylbenzyl alcoholSCHEMBL44837SCHEMBL481000
Database identifiers
- CAS
346-06-5- PubChem CID
- 67666
- DTXSID
DTXSID10188166- ChEBI
CHEBI:195111- EC Number
- 206-467-9
- Nikkaji
- J193.800B
Properties
Computed structural properties
- XLogP
- 1.9
- 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
- 144
Physicochemical properties
- Melting point
- 4 °C · 4°C
- Boiling point
- 70 °C/3 · 70 °C/3 mmHg
- Density
- 1.32 · 1.32
- refractive index
- 1.47 · 1.47
- Flash point
- 92 °C · 92 °C
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- pka
- 14.01 · 14.01±0.10(Predicted)
- color
- Colorless to Almost colorless
- BRN
- 2093714 · 2093714
- InChI
- 1S/C8H7F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4,12H,5H2
- InChIKey
- TWQNSHZTQSLJEE-UHFFFAOYSA-N
- SMILES
- OCc1ccccc1C(F)(F)F
- CAS DataBase Reference
- 346 · 346-06-5(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2-(Trifluoromethyl)benzyl alcohol(346-06-5)
- Comptox DTXSID
- 10188166 · DTXSID10188166
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 2906299090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-37/39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H227-H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210e-P280a-P405-P501a-P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-(Trifluoromethyl)benzyl alcohol has been used to investigate the aromatic aldehydes as substrate for yeast alcohol dehydrogenase.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: [2-(Trifluoromethyl)phenyl]methanol is a member of (trifluoromethyl)benzenes.
Related reactions
10 records
Compound notes
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