Home > Compound List > Compound details
365-24-2 molecular structure
click picture or here to close

bis(4-fluorophenyl)methanol

ChemBase ID: 9866
Molecular Formular: C13H10F2O
Molecular Mass: 220.2147064
Monoisotopic Mass: 220.06997138
SMILES and InChIs

SMILES:
Fc1ccc(cc1)C(O)c1ccc(cc1)F
Canonical SMILES:
OC(c1ccc(cc1)F)c1ccc(cc1)F
InChI:
InChI=1S/C13H10F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H
InChIKey:
WCTZPQWLFWZYJE-UHFFFAOYSA-N

Cite this record

CBID:9866 http://www.chembase.cn/molecule-9866.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(4-fluorophenyl)methanol
IUPAC Traditional name
bis(4-fluorophenyl)methanol
Synonyms
4,4'-Difluorobenzhydrol
4,4'-Difluorobenzhydrol 98%
Bis(4-fluorophenyl) carbinol
4,4′-Difluorobenzhydrol
Bis(4-fluorophenyl)methanol
Bis(4-Fluorophenyl)methanol
4,4'-Difluorodiphenylmethanol
4,4'-Difluorobenzhydrol
4,4′-二氟二苯甲醇
双(4-氟苯基)甲醇
4,4'-二氟二苯基甲醇
CAS Number
365-24-2
EC Number
206-671-8
MDL Number
MFCD00000357
Beilstein Number
2332258
PubChem SID
24853348
160973173
PubChem CID
123049

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.673029  H Acceptors
H Donor LogD (pH = 5.5) 3.27554 
LogD (pH = 7.4) 3.2755399  Log P 3.27554 
Molar Refractivity 57.5895 cm3 Polarizability 21.705448 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)
Melting Point
43-45 °C(lit.) expand Show data source
45-49°C expand Show data source
47-48°C expand Show data source
Boiling Point
142-144°C/3mm expand Show data source
143 °C/3 mmHg(lit.) expand Show data source
143°C/3mm expand Show data source
Flash Point
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant 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
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
H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
98% expand Show data source
98+% expand Show data source
Linear Formula
(FC6H4)2CHOH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 222682 external link
Packaging
5 g in glass bottle
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 222682.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

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