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2265-93-2 molecular structure
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2,4-difluoro-1-iodobenzene

ChemBase ID: 9144
Molecular Formular: C6H3F2I
Molecular Mass: 239.9892964
Monoisotopic Mass: 239.92475454
SMILES and InChIs

SMILES:
Fc1ccc(c(c1)F)I
Canonical SMILES:
Fc1ccc(c(c1)F)I
InChI:
InChI=1S/C6H3F2I/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKey:
YKLDMAPEGQYZRT-UHFFFAOYSA-N

Cite this record

CBID:9144 http://www.chembase.cn/molecule-9144.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-difluoro-1-iodobenzene
IUPAC Traditional name
2,4-difluoro-1-iodobenzene
Synonyms
2,4-Difluoro-1-iodobenzene
2,4-Difluoro-1-iodobenzene
2,4-Difluoroiodobenzene
1,3-Difluoro-4-iodobenzene
2,4-Difluoroiodobenzene 98%
2,4-Difluoroiodobenzene
2,4-Difluoro-1-iodobenzene
2,4-二氟-1-碘苯
2,4-二氟-1-碘苯
2,4-二氟碘苯
CAS Number
2265-93-2
MDL Number
MFCD00040151
Beilstein Number
2081078
PubChem SID
24862795
160972451
PubChem CID
137519

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1875942  LogD (pH = 7.4) 3.1875942 
Log P 3.1875942  Molar Refractivity 39.8533 cm3
Polarizability 15.267443 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
175-176 °C(lit.) expand Show data source
175-176°C expand Show data source
57-59°C/15mm expand Show data source
Flash Point
154.4 °F expand Show data source
67°C expand Show data source
67°C(152°F) expand Show data source
68 °C expand Show data source
Density
2.006 expand Show data source
2.006 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.557 expand Show data source
1.5580 expand Show data source
n20/D 1.557(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
Light Sensitive 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
26-36/37/39 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H315-H319-H335-H227 expand Show data source
GHS Precautionary statements
P210-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P261-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
98% expand Show data source
99% expand Show data source
Linear Formula
F2C6H3I expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 369101 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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