Sodium 3,5,6-Trichloropyridin-2-olate - CAS 37439-34-2
Catalog: |
BB023284 |
Product Name: |
Sodium 3,5,6-Trichloropyridin-2-olate |
CAS: |
37439-34-2 |
Synonyms: |
sodium;3,5,6-trichloro-2-pyridinolate; sodium;3,5,6-trichloropyridin-2-olate |
IUPAC Name: | sodium;3,5,6-trichloropyridin-2-olate |
Description: | Sodium 3,5,6-Trichloropyridin-2-olate (CAS# 37439-34-2) is an intermediate in synthesizing Chlorpyrifos (Diethyl-d10) (C425302), which is derived from 3,5,6-Trichloro-2-pyridinol (T773860), a metabolite of Chlorpyrifos (C425300). Used as a standard for Pesticide detection. |
Molecular Weight: | 220.42 |
Molecular Formula: | C5HCl3NONa |
Canonical SMILES: | C1=C(C(=NC(=C1Cl)Cl)[O-])Cl.[Na+] |
InChI: | InChI=1S/C5H2Cl3NO.Na/c6-2-1-3(7)5(10)9-4(2)8;/h1H,(H,9,10);/q;+1/p-1 |
InChI Key: | JAWYJCBOOSFRKD-UHFFFAOYSA-M |
Boiling Point: | 325 °C at 760 mmHg |
MDL: | MFCD08704561 |
LogP: | 3.18560 |
GHS Hazard Statement: | H302 (98.25%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110016050-B | Stable isotope labeled chlorpyrifos, derivative thereof and synthetic preparation method | 20190408 |
CN-108409645-B | Preparation method of high-purity 3,5, 6-trichloropyridine-2-alcohol sodium salt | 20180620 |
CN-105481763-A | Synthesis method of 3,5,6-trichloropyridin-2-ol sodium by using 2,3,5,6-tetrachloropyridine as raw material | 20151204 |
CN-105348178-A | Novel synthetic process of 3,5,6-trichloropyridin-2-ol sodium | 20151127 |
CN-104876858-A | One-pot method for synthesizing sodium 3,5,6-trichloropyridin-2-olate | 20150513 |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.902141 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.902141 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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