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73943-41-6 molecular structure
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2-fluoro-6-methoxyphenol

ChemBase ID: 11949
Molecular Formular: C7H7FO2
Molecular Mass: 142.1276832
Monoisotopic Mass: 142.04300768
SMILES and InChIs

SMILES:
c1ccc(c(c1OC)O)F
Canonical SMILES:
COc1cccc(c1O)F
InChI:
InChI=1S/C7H7FO2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,9H,1H3
InChIKey:
YZNHPLVFLRSVHY-UHFFFAOYSA-N

Cite this record

CBID:11949 http://www.chembase.cn/molecule-11949.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-6-methoxyphenol
IUPAC Traditional name
2-fluoro-6-methoxyphenol
Synonyms
2-Fluoro-6-methoxyphenol
2-Fluoro-6-methoxyphenol
2-Hydroxy-3-fluoroanisole
2-Fluoro-6-methoxyphenol 98%
2-氟-6-甲氧基苯酚
CAS Number
73943-41-6
MDL Number
MFCD00075140
PubChem SID
160975256
24860556
PubChem CID
2737367

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.062662  H Acceptors
H Donor LogD (pH = 5.5) 1.6545932 
LogD (pH = 7.4) 1.6454464  Log P 1.6547111 
Molar Refractivity 34.7185 cm3 Polarizability 13.177085 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
130-131 °C/36 mmHg(lit.) expand Show data source
130-131°C/36mm expand Show data source
130-131°C/36mm expand Show data source
130-132°C/36mm expand Show data source
Flash Point
103 °C expand Show data source
103°C expand Show data source
103°C(218°F) expand Show data source
217.4 °F expand Show data source
Density
1.23 expand Show data source
1.23 g/mL at 25 °C(lit.) expand Show data source
1.230 expand Show data source
Refractive Index
1.52 expand Show data source
1.5200 expand Show data source
n20/D 1.52(lit.) expand Show data source
Hydrophobicity(logP)
1.392 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
X expand Show data source
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
22-37/38-41 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36/37/39 expand Show data source
26-37/39 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
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H318-H315-H302-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280-P305+P351+P338-P337+P313 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
95% expand Show data source
97% expand Show data source
98% expand Show data source
Linear Formula
FC6H3(OCH3)OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 338575 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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