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93343-10-3 molecular structure
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1,3-difluoro-5-methoxybenzene

ChemBase ID: 9033
Molecular Formular: C7H6F2O
Molecular Mass: 144.1187464
Monoisotopic Mass: 144.03867125
SMILES and InChIs

SMILES:
c1(cc(cc(c1)OC)F)F
Canonical SMILES:
COc1cc(F)cc(c1)F
InChI:
InChI=1S/C7H6F2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChIKey:
OTGQPYSISUUHAF-UHFFFAOYSA-N

Cite this record

CBID:9033 http://www.chembase.cn/molecule-9033.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-difluoro-5-methoxybenzene
IUPAC Traditional name
1,3-difluoro-5-methoxybenzene
Synonyms
3,5-Difluoroanisole
1,3-Difluoro-5-methoxybenzene
3,5-Difluorophenyl methyl ether
3,5-Difluoroanisole 98+%
3,5-Difluoroanisole
3,5-Difluoro Anisole
1,3-difluoro-5-methoxybenzene
3,5-二氟苯甲醚
CAS Number
93343-10-3
MDL Number
MFCD00042560
Beilstein Number
4966844
PubChem SID
160972340
24858241
PubChem CID
2724518

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1009784  LogD (pH = 7.4) 2.1009784 
Log P 2.1009784  Molar Refractivity 32.954 cm3
Polarizability 12.3037 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
145-148°C expand Show data source
145-148°C expand Show data source
Flash Point
111.2 °F expand Show data source
43°C expand Show data source
43°C(109°F) expand Show data source
44 °C expand Show data source
Density
1.234 expand Show data source
1.234 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4660 expand Show data source
n20/D 1.466(lit.) expand Show data source
Hydrophobicity(logP)
2.536 expand Show data source
Storage Warning
Flammable/Irritant expand Show data source
IRRITANT, FLAMMABLE expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
UN1993 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
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
10-36/37/38 expand Show data source
Safety Statements
16-26-36/37/39 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 3 expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
Linear Formula
F2C6H3OCH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 302228 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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