2-fluoro-5-iodotoluene - CAS 452-68-6
Catalog: |
BB025807 |
Product Name: |
2-fluoro-5-iodotoluene |
CAS: |
452-68-6 |
Synonyms: |
1-fluoro-4-iodo-2-methylbenzene; 1-fluoro-4-iodo-2-methylbenzene |
IUPAC Name: | 1-fluoro-4-iodo-2-methylbenzene |
Description: | 2-fluoro-5-iodotoluene (CAS# 452-68-6) is a useful research chemical. |
Molecular Weight: | 236.03 |
Molecular Formula: | C7H6FI |
Canonical SMILES: | CC1=C(C=CC(=C1)I)F |
InChI: | InChI=1S/C7H6FI/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3 |
InChI Key: | DYQIYXDSKUUZRI-UHFFFAOYSA-N |
Boiling Point: | 207.6 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.115 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00013710 |
LogP: | 2.73870 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (33.33%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113429331-A | Chiral hexahydroindole derivative and preparation method thereof | 20210408 |
WO-2021203007-A1 | Substituted 5-hydroxyindole compounds as modulators of alpha-1 antitrypsin | 20200403 |
WO-2021203014-A1 | Pyrano[4,3-b]l ndole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd) | 20200403 |
WO-2021123785-A1 | Dna polymerase theta inhibitors | 20191217 |
WO-2021102052-A1 | Directed conjugation technologies | 20191118 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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