3-Iodophenylacetonitrile - CAS 130723-54-5
Catalog: |
BB007161 |
Product Name: |
3-Iodophenylacetonitrile |
CAS: |
130723-54-5 |
Synonyms: |
2-(3-iodophenyl)acetonitrile |
IUPAC Name: | 2-(3-iodophenyl)acetonitrile |
Description: | 3-Iodophenylacetonitrile (CAS# 130723-54-5) is a useful research chemical. |
Molecular Weight: | 243.04 |
Molecular Formula: | C8H6IN |
Canonical SMILES: | C1=CC(=CC(=C1)I)CC#N |
InChI: | InChI=1S/C8H6IN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2 |
InChI Key: | LVOKGAHCTHNWIL-UHFFFAOYSA-N |
Boiling Point: | 138 °C / 12 mmHg |
Melting Point: | 34-38 °C (lit.) |
Purity: | 95 % |
Density: | 1.764 g/cm3 |
MDL: | MFCD00040890 |
LogP: | 2.35728 |
GHS Hazard Statement: | H302 (97.73%): 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, P322, P330, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112142711-A | Substituted thiophene compound, preparation method and application thereof | 20190628 |
CN-108002991-B | Visible light catalytic halogenated aromatic hydrocarbon dehalogenation method without photooxidation-reduction catalyst | 20171220 |
AU-2018293752-A1 | Heterocyclylmethylidene derivatives and their use as modulators of mGluR5 receptors | 20170629 |
CA-3066193-A1 | Heterocyclylmethylidene derivatives and their use as modulators of mglur5 receptors | 20170629 |
CN-111094269-A | Heterocyclylmethylene derivatives and their use as mGluR5 receptor modulators | 20170629 |
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: | 2.8 |
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