| Weight | 172.014 g/mol |
|---|---|
| Formula | C7H3Cl2N |
| Hydrogen Acceptors | 1 |
| Hydrogen Donors | 0 |
| Aromatic Rings | 1 |
| Rotatable Bonds | 0 |
3,5-Dichlorobenzonitrile (6575-00-4)
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- FT-IR, FT-Raman spectra and other molecular properties of 3,5-dichlorobenzonitrile: A DFT study (Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2013)
- 2-Amino-3,5-dichlorobenzonitrile: DFT calculations in the monomer and dimer forms, FT-IR and FT-Raman spectra, molecular geometry, atomic charges and thermodynamical parameters (Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2013)
- Vibrational spectral investigation, NBO, first hyperpolarizability and UVVis spectral analysis of 3,5-dichlorobenzonitrile and m-bromobenzonitrile by ab initio and density functional theory methods (Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2015)
- ChemInform Abstract: 4,5-DIHYDROISOXAZOLES. PART 6. 1,3-CYCLOADDITION OF 2,6-DICHLOROBENZONITRILE OXIDES TO 1-(PHENYLTHIO)-1,2-PROPADIENE AND 1-(PHENYLTHIO)-4,4-DIMETHYL-1,2-PENTADIENE (ChemInform, 1983)
-
Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. -
SMILESC1=C(C=C(C=C1Cl)Cl)C#N
-
InChIKeyPUJSUOGJGIECFQ-UHFFFAOYSA-N
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