2-Iodophenylacetonitrile - CAS 40400-15-5
Catalog: |
BB024484 |
Product Name: |
2-Iodophenylacetonitrile |
CAS: |
40400-15-5 |
Synonyms: |
2-(2-iodophenyl)acetonitrile |
IUPAC Name: | 2-(2-iodophenyl)acetonitrile |
Description: | 2-Iodophenylacetonitrile (CAS# 40400-15-5) is a useful research chemical. |
Molecular Weight: | 243.04 |
Molecular Formula: | C8H6IN |
Canonical SMILES: | C1=CC=C(C(=C1)CC#N)I |
InChI: | InChI=1S/C8H6IN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2 |
InChI Key: | FPSGTRJUQLYLHE-UHFFFAOYSA-N |
Boiling Point: | 113 °C (0.5 torr) |
Purity: | 95 % |
Density: | 1.75 g/cm3 |
MDL: | MFCD00040888 |
LogP: | 2.35728 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111116455-A | Organic blue light micromolecules based on benzyne and preparation method and application thereof | 20191231 |
WO-2021028810-A1 | Sulfinic acid compounds as free fatty acid receptor agonists | 20190809 |
CN-111909138-A | Compounds that inhibit TDG activity | 20190509 |
WO-2020224396-A1 | Compounds inhibiting tdg activity | 20190509 |
CN-109305970-B | Preparation and application of 1, 7-disubstituted aminomethyl-2, 8-dihydroxy-Tr ger's Base catalyst | 20181109 |
PMID | Publication Date | Title | Journal |
12530858 | 20030124 | Carbopalladation of nitriles: synthesis of 3,4-disubstituted 2-aminonaphthalenes and 1,3-benzoxazine derivatives by the palladium-catalyzed annulation of alkynes by (2-Iodophenyl)acetonitrile | The Journal of organic chemistry |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.95450 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.95450 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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