2,6-Diethylaniline - CAS 579-66-8
Catalog: |
BB067888 |
Product Name: |
2,6-Diethylaniline |
CAS: |
579-66-8 |
Synonyms: |
2,6-Diethyl-benzenamine; 2,6-Diethyl-aniline; 2,6-Diethylbenzenamine; 2,6-Diethylphenylamine |
IUPAC Name: | 2,6-diethylaniline |
Description: | 2,6-Diethylaniline is used as a reagent in the synthesis of herbicides, for instance Butachlor (B689925); a pre-emergent chloroacetanalide herbicide commonly used for weed control in rice as well as cotton, maize, wheat and other crops. |
Molecular Weight: | 149.23 |
Molecular Formula: | C10H15N |
Canonical SMILES: | CCC1=C(C(=CC=C1)CC)N |
InChI: | InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3 |
InChI Key: | FOYHNROGBXVLLX-UHFFFAOYSA-N |
Boiling Point: | 235.5 °C |
Melting Point: | 3.5 °C |
Density: | 0.96 kg/l at 20 °C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Light Brown Oil |
Storage: | Refrigerator, under inert atmosphere |
References: | De Datta, S.K. et al. Weed Res., 11, 41 (1971); Nadagoudar, B.S. et al. Ind. J. Weed Sci., 13, 129 (1981); Yu, Y. et al. Tur. Xueb., 39, 575 (2002). |
Refractive Index: | 1.5456 at 20 °C |
GHS Hazard Statement: | H302: Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Complexity: | 99.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.120449483 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.120449483 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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