1,1-Dichloro-2-nitroethene - CAS 6061-04-7
Catalog: |
BB062841 |
Product Name: |
1,1-Dichloro-2-nitroethene |
CAS: |
6061-04-7 |
Synonyms: |
2,2-Dichloro-1-nitroethylene;2-Nitro-1,1-dichloroethylene |
IUPAC Name: | 1,1-dichloro-2-nitroethene |
Description: | 1,1-Dichloro-2-nitroethene is used as a starting material in the synthesis of Cycloxaprid, a novel cis-nitromethylene neonicotinoid insecticide. |
Molecular Weight: | 141.94 |
Molecular Formula: | C2HCl2NO2 |
Canonical SMILES: | C(=C(Cl)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C2HCl2NO2/c3-2(4)1-5(6)7/h1H |
InChI Key: | CTFMCQGUXONREY-UHFFFAOYSA-N |
References: | Zhang, Hong-yu, et al. Shijie Nongyao, 36(6), 21-24 (2014). |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P316, P303+P361+P353, P321, P330, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.9384337 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.9384337 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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