2,4,6-Trifluorobenzyl alcohol
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Basic information
- CAS
118289-07-9- Standard SMILES
OCc1c(F)cc(F)cc1F- InChIKey
YJQDVBPZXNALEE-UHFFFAOYSA-N- Molecular formula
- C7H5F3O
- Average molar mass
- 162.11 g/mol
- Monoisotopic mass
- 162.02924944
Names & identifiers
- Preferred name
- 2,4,6-Trifluorobenzyl alcohol
- IUPAC
- (2,4,6-trifluorophenyl)methanol
- English name
- 2,4,6-Trifluorobenzyl alcohol
- Molecular formula
- C7H5F3O
- Molecular weight
- 162.11
Names & synonyms
2,4,6-Trifluorobenzyl alcohol118289-07-9DTXSID30380342RefChem:245780DTXCID20331368642-862-6(2,4,6-trifluorophenyl)methanolMFCD000612072,4,6-trifluorobenzylalcohol(2,4,6-trifluorophenyl)methan-1-olBenzenemethanol,2,4,6-trifluoro-SCHEMBL96130
Show more names
RARECHEM AL BD 03152,4,6-Trifluorbenzyl alcohol2,4,6-Trifluorobenzyl alkohol2,4,6-Trifluoro-benzenemethanol2,4,6-Trifluorobenzylalcohol97%2,4,6-Trifluorobenzyl alcohol 97%Benzenemethanol, 2,4,6-trifluoro-2,4,6-TRIFLU2,4,6-TRIFLUOROBENZYL ALCOHOLOROBENZYL ALCOHOL
SCHEMBL96131YJQDVBPZXNALEE-UHFFFAOYSA-N2,4,6-trifluorophenylmethyl alcoholSBB087567AKOS009159033AS-15006SY032392CS-0196539
Database identifiers
- CAS
118289-07-9- PubChem CID
- 2777037
- DTXSID
DTXSID30380342- EC Number
- 642-862-6
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 179.5 · 179.5±35.0℃ (760 Torr)
- Density
- 1.398 · 1.398±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point
- 77.5 · 77.5±20.4℃
- storage temp.
- 2 · 2-8°C
- form
- crystals
- pka
- 13.34 · 13.34±0.10(Predicted)
- color
- Light beige/light brown
- CAS DataBase Reference
- 118289 · 118289-07-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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 7 reports by companies from 3 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
- hs_code
- 2906290090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2,4,6-Trifluorobenzyl alcohol is an organic intermediate that can be prepared in two steps from 1,3,5-trifluorobenzene. Literature reports its use in the preparation of pesticides such as imidacloprid and acetamiprid, and the pharmaceutical intermediate 2,4,6-trifluorobenzylamine.
Related reactions
7 records
Compound notes
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