4-Fluoro-3-iodotoluene - CAS 452-82-4
Catalog: |
BB025819 |
Product Name: |
4-Fluoro-3-iodotoluene |
CAS: |
452-82-4 |
Synonyms: |
1-fluoro-2-iodo-4-methylbenzene |
IUPAC Name: | 1-fluoro-2-iodo-4-methylbenzene |
Description: | 4-Fluoro-3-iodotoluene (CAS# 452-82-4) is a useful research chemical. |
Molecular Weight: | 236.03 |
Molecular Formula: | C7H6FI |
Canonical SMILES: | CC1=CC(=C(C=C1)F)I |
InChI: | InChI=1S/C7H6FI/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3 |
InChI Key: | XJWZEEGCMBQBNG-UHFFFAOYSA-N |
Boiling Point: | 122-125 °C |
Purity: | 98 % |
Density: | 1.833 g/cm3 |
Appearance: | Colorless to light yellow liqui |
MDL: | MFCD00079759 |
LogP: | 2.73870 |
GHS Hazard Statement: | H226 (97.44%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P310, P303+P361+P353, P321, P330, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111440137-A | 3, 4-benzocoumarin derivative and preparation method and application thereof | 20200428 |
JP-2021119130-A | A drug consisting of a fused lactam derivative | 20200129 |
WO-2021132311-A1 | Aliphatic acid amide derivative | 20191224 |
US-2020172543-A1 | Condensed lactam derivative | 20180723 |
WO-2020022237-A1 | Fused ring lactam derivatives | 20180723 |
Complexity: | 94.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.94983 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.94983 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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