Home > Compound List > Compound details
152211-15-9 molecular structure
click picture or here to close

[2-fluoro-6-(trifluoromethyl)phenyl]methanol

ChemBase ID: 7638
Molecular Formular: C8H6F4O
Molecular Mass: 194.1262528
Monoisotopic Mass: 194.03547769
SMILES and InChIs

SMILES:
C(c1c(c(F)ccc1)CO)(F)(F)F
Canonical SMILES:
OCc1c(F)cccc1C(F)(F)F
InChI:
InChI=1S/C8H6F4O/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3,13H,4H2
InChIKey:
TZUCYZIRXZYZOP-UHFFFAOYSA-N

Cite this record

CBID:7638 http://www.chembase.cn/molecule-7638.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-fluoro-6-(trifluoromethyl)phenyl]methanol
IUPAC Traditional name
[2-fluoro-6-(trifluoromethyl)phenyl]methanol
Synonyms
2-Fluoro-6-(trifluoromethyl)benzyl alcohol 97%
2-Fluoro-6-(trifluoromethyl)benzyl alcohol
2-Fluoro-6-(trifluoromethyl)benzyl alcohol
2-氟-6-(三氟甲基)苯甲醇
CAS Number
152211-15-9
MDL Number
MFCD00061168
PubChem SID
24878408
160970945
PubChem CID
519082

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.25855  H Acceptors
H Donor LogD (pH = 5.5) 2.2264464 
LogD (pH = 7.4) 2.2264464  Log P 2.2264464 
Molar Refractivity 39.064 cm3 Polarizability 13.906077 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
180 °C(lit.) expand Show data source
Flash Point
110 °C expand Show data source
230 °F expand Show data source
Density
1.397 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.456 expand Show data source
1.4560 expand Show data source
n20/D 1.456(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
97% expand Show data source
99% expand Show data source
Linear Formula
FC6H3(CF3)CH2OH expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle