4-Chloro-3-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)aniline - CAS 87170-48-7
Catalog: |
BB062238 |
Product Name: |
4-Chloro-3-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)aniline |
CAS: |
87170-48-7 |
Synonyms: |
4-Chloro-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenamine |
IUPAC Name: | 4-chloro-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyaniline |
Description: | 4-Chloro-3-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)aniline is used in the preparation of fluazuron; an insect repellent. |
Molecular Weight: | 323.1 |
Molecular Formula: | C12H7Cl2F3N2O |
Canonical SMILES: | C1=CC(=C(C=C1N)OC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl |
InChI: | InChI=1S/C12H7Cl2F3N2O/c13-8-2-1-7(18)4-10(8)20-11-9(14)3-6(5-19-11)12(15,16)17/h1-5H,18H2 |
InChI Key: | NMLZNVAMLNUCOY-UHFFFAOYSA-N |
References: | Su, W., et al. Zhejiang Huagong, 45, 5 (2014). |
GHS Hazard Statement: | H302 (98.73%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P317, P330, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111039858-A | Preparation method of fluazuron | 20191230 |
CN-111039858-B | Preparation method of fluazuron | 20191230 |
CN-104876859-A | Fluazuron and preparing method thereof | 20150608 |
CN-101906070-A | Method for chemically synthesizing fluazuron | 20100817 |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 321.9887527 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 321.9887527 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 48.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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