Weight | 137.569 g/mol |
---|---|
Formula | C7H4ClN |
Hydrogen Acceptors | 1 |
Hydrogen Donors | 0 |
Aromatic Rings | 1 |
Rotatable Bonds | 0 |
2-Chlorobenzonitrile (61593-47-3, 873-32-5)
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- Discovery of 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): a potent, orally bioavailable HIV-1 non-nucleoside reverse transcriptase inhibitor with improved potency against key mutant viruses. (Journal of Medicinal Chemistry, 2008)
- FT-IR and FT-Raman spectra, vibrational assignments, NBO analysis and DFT calculations of 2-amino-4-chlorobenzonitrile (Journal of Molecular Structure, 2011)
- Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method (Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2011)
- Radiolysis of 2-, 3- and 4-chlorobenzonitrile in aqueous solution and product analysis (Radiation Physics and Chemistry, 1998)
- One electron reduction and oxidation of 2-, 3- and 4-chlorobenzonitrile in aqueous solution: a pulse radiolysis study (Radiation Physics and Chemistry, 2000)
- A modified ebulliometric method for high-boiling substances: vapour pressures of 2-chlorobenzonitrile and 4-chlorobenzonitrile at temperatures from 380 K to 490 K (The Journal of Chemical Thermodynamics, 1994)
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Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - H302: Harmful if swallowed
Warning Acute toxicity, oral - Category 4 - H319: Causes serious eye irritation
Warning Serious eye damage/eye irritation - Category 2A -
SMILESC1=CC=C(C(=C1)C#N)Cl
-
InChIKeyNHWQMJMIYICNBP-UHFFFAOYSA-N
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