4-Fluoro-3-(trifluoromethyl)benzyl alcohol
Basic information
- CAS
67515-61-1- Standard SMILES
OCc1ccc(F)c(C(F)(F)F)c1- InChIKey
DGBDVJVPBJMVDH-UHFFFAOYSA-N- Molecular formula
- C8H6F4O
- Average molar mass
- 194.13 g/mol
- Monoisotopic mass
- 194.03547746
Names & identifiers
- Preferred name
- 4-Fluoro-3-(trifluoromethyl)benzyl alcohol
- IUPAC
- [4-fluoro-3-(trifluoromethyl)phenyl]methanol
- English name
- 4-Fluoro-3-(trifluoromethyl)benzyl alcohol
- Molecular formula
- C8H6F4O
- Molecular weight
- 194.13
Names & synonyms
67515-61-14-Fluoro-3-(trifluoromethyl)benzyl alcoholDTXSID70217860RefChem:98973DTXCID20140351DGBDVJVPBJMVDH-UHFFFAOYSA-N(4-Fluoro-3-(trifluoromethyl)phenyl)methanol[4-Fluoro-3-(trifluoromethyl)phenyl]methanolMFCD000611713-trifluoromethyl-4-fluorobenzyl alcoholSCHEMBL93061CK2481
Show more names
RARECHEM AL BD 0323-FLUORO-3-(TRIFLUOROMETHYL)BENZYL ALCOHOL44-FLUORO-3-(TRIFLUOROMETHYL)BENZYL ALCOHOL4-Fluoro-3-(trifluoromethyl)benzylalcohol97%Benzenemethanol, 4-fluoro-3-(trifluoromethyl)-4-Fluoro-3-(trifluoromethyl)benzyl alcohol 97%4-Fluoro-3-Trifluoromethyl Benzylalcohol 3-Trifluoromethyl-4-Fluorobenzyl Alcohol
AKOS009157419[4-fluoro-3-(trifluoromethyl)phenyl]methan-1-olSCHEMBL2642102SCHEMBL29875866CS-W0157SBB091686CS-W015751PS-8301
Database identifiers
- CAS
67515-61-1- PubChem CID
- 144256
- DTXSID
DTXSID70217860- EC Number
- 642-615-2
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 80 · 80-85°C 0,1mm
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- refractive index
- 1.45 · 1.45
- Flash point
- 80 · 80-85°C/0.1mm
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 13.72 · 13.72±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- BRN
- 1960409 · 1960409
- CAS DataBase Reference
- 67515 · 67515-61-1(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 · 36/38
- Safety Statements
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 6 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
- 36/38
- 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
Related reactions
1 records
Compound notes
Loading…