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75853-20-2 molecular structure
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(2,5-difluorophenyl)methanol

ChemBase ID: 9101
Molecular Formular: C7H6F2O
Molecular Mass: 144.1187464
Monoisotopic Mass: 144.03867125
SMILES and InChIs

SMILES:
c1(ccc(c(c1)CO)F)F
Canonical SMILES:
OCc1cc(F)ccc1F
InChI:
InChI=1S/C7H6F2O/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
InChIKey:
KIKCAPPVFQLOIU-UHFFFAOYSA-N

Cite this record

CBID:9101 http://www.chembase.cn/molecule-9101.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,5-difluorophenyl)methanol
IUPAC Traditional name
(2,5-difluorophenyl)methanol
Synonyms
2,5-Difluorobenzyl alcohol
2,5-Difluorobenzyl alcohol
2,5-Difluorobenzyl alcohol 98%
(2,5-Difluorophenyl)Methanol
2,5-二氟苯甲醇
2,5-二氟苄醇
CAS Number
75853-20-2
EC Number
278-325-4
MDL Number
MFCD00010627
Beilstein Number
9043529
PubChem SID
160972408
24857454
PubChem CID
522599

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.362019  H Acceptors
H Donor LogD (pH = 5.5) 1.4912999 
LogD (pH = 7.4) 1.4912999  Log P 1.4912999 
Molar Refractivity 33.3067 cm3 Polarizability 12.247697 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)
Flash Point
201.2 °F expand Show data source
93°C expand Show data source
93°C(199°F) expand Show data source
94 °C expand Show data source
Density
1.29 expand Show data source
1.29 g/mL at 25 °C(lit.) expand Show data source
1.290 expand Show data source
Refractive Index
1.49 expand Show data source
1.4900 expand Show data source
n20/D 1.49(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
41 expand Show data source
Safety Statements
26-37 expand Show data source
26-39 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H318 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P280-P305 + P351 + P338 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
98% expand Show data source
99% expand Show data source
Linear Formula
F2C6H3CH2OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 290289 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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