2-Iodobenzonitrile - CAS 4387-36-4
Catalog: |
BB025488 |
Product Name: |
2-Iodobenzonitrile |
CAS: |
4387-36-4 |
Synonyms: |
2-iodobenzonitrile |
IUPAC Name: | 2-iodobenzonitrile |
Description: | 2-Iodobenzonitrile (CAS# 4387-36-4) is a useful research chemical. |
Molecular Weight: | 229.02 |
Molecular Formula: | C7H4IN |
Canonical SMILES: | C1=CC=C(C(=C1)C#N)I |
InChI: | InChI=1S/C7H4IN/c8-7-4-2-1-3-6(7)5-9/h1-4H |
InChI Key: | JDDAFHUEOVUDFJ-UHFFFAOYSA-N |
Boiling Point: | 147 °C / 15 mmHg |
Density: | 1.91 g/cm3 |
MDL: | MFCD00079761 |
LogP: | 2.16288 |
GHS Hazard Statement: | H302 (95.35%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112281182-A | Method for preparing deuterated aromatic hydrocarbon under electrochemical condition | 20201029 |
CN-111934010-A | Lead-acid storage battery electrolyte and preparation method thereof | 20200805 |
CN-111934010-B | Lead-acid storage battery electrolyte and preparation method thereof | 20200805 |
WO-2021174475-A1 | Organic compounds | 20200305 |
WO-2021175971-A1 | Heterocyclic derivatives as trmp8 antagonists | 20200305 |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.93885 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.93885 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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