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348-52-7 molecular structure
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348-52-7 molecular structure
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1-fluoro-2-iodobenzene

ChemBase ID: 7193
Molecular Formular: C6H4FI
Molecular Mass: 221.9988332
Monoisotopic Mass: 221.93417635
SMILES and InChIs

SMILES:
 c1ccc(c(c1)F)I
Canonical SMILES:
 Fc1ccccc1I
InChI:
 InChI=1S/C6H4FI/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKey:
 TYHUGKGZNOULKD-UHFFFAOYSA-N

Cite this record

CBID:7193 http://www.chembase.cn/molecule-7193.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-fluoro-2-iodobenzene
IUPAC Traditional name
benzene, 1-fluoro-2-iodo-
Synonyms
2-Fluoroiodobenzene
o-FLUOROIODOBENZENE
1-Fluoro-2-iodobenzene
2-Fluoroiodobenzene 99%
1-Fluoro-2-iodobenzene
2-Fluoroiodobenzene
1-Fluoro-2-iodobenzene
邻氟碘苯
1-氟-2-碘苯
CAS Number
348-52-7
EC Number
206-477-3
MDL Number
MFCD00001031
Beilstein Number
2039770
PubChem SID
160970500
24853126
PubChem CID
67673

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich 219401 external link Add to cart
MP Biomedicals 05206153 external link Add to cart
Alfa Aesar A12411 external link Add to cart
Apollo Scientific PC3760 external link Add to cart
Matrix Scientific 002135 external link Add to cart
Maybridge SB01067 external link Add to cart
A&J Pharmtech AJA-O8274 external link Add to cart AJA-O7630 external link Add to cart AJA-O8505 external link Add to cart
PubChem 67673 external link
Data Source Data ID Price
Sigma Aldrich
219401 external link Add to cart Please log in.
MP Biomedicals
05206153 external link Add to cart Please log in.
Alfa Aesar
A12411 external link Add to cart Please log in.
Apollo Scientific
PC3760 external link Add to cart Please log in.
Matrix Scientific
002135 external link Add to cart Please log in.
Maybridge
SB01067 external link Add to cart Please log in.
A&J Pharmtech
AJA-O8274 external link Add to cart Please log in.
AJA-O7630 external link Add to cart Please log in.
AJA-O8505 external link Add to cart Please log in.
Data Source Data ID
PubChem 67673 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors 0  H Donor 0 
LogD (pH = 5.5) 3.0448923  LogD (pH = 7.4) 3.0448923 
Log P 3.0448923  Molar Refractivity 39.6369 cm3
Polarizability 15.334279 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 0  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-41 to -40°C expand Show data source
-41--40 °C(lit.) expand Show data source
-43 to -40°C expand Show data source
Boiling Point
188-189 °C(lit.) expand Show data source
188-189°C expand Show data source
188-189°C expand Show data source
Flash Point
159.8 °F expand Show data source
71 °C expand Show data source
71°C expand Show data source
71°C(159°F) expand Show data source
Density
1.903 expand Show data source
1.903 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.56 expand Show data source
1.5900 expand Show data source
n20/D 1.59(lit.) expand Show data source
Storage Warning
Harmful/Irritant/Corrosive/Light Sensitive/Store under Argon/Keep Cold expand Show data source
IRRITANT expand Show data source
Light Sensitive expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
22-37/38-41-51/53 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-39-61 expand Show data source
TSCA Listed
true expand Show data source
是 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
H302-H315-H318 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
P280-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
Purity
97% expand Show data source
98% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Contains
copper as stabilizer expand Show data source
Linear Formula
FC6H4I expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05206153 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 219401 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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