3,4,5,6-Tetrachloropyridine-2-carboxylic Acid - CAS 10469-09-7
Catalog: |
BB001462 |
Product Name: |
3,4,5,6-Tetrachloropyridine-2-carboxylic Acid |
CAS: |
10469-09-7 |
Synonyms: |
3,4,5,6-tetrachloro-2-pyridinecarboxylic acid; 3,4,5,6-tetrachloropyridine-2-carboxylic acid |
IUPAC Name: | 3,4,5,6-tetrachloropyridine-2-carboxylic acid |
Description: | 3,4,5,6-Tetrachloropyridine-2-carboxylic Acid (CAS# 10469-09-7) is a reagent used in the synthesis of herbicides. |
Molecular Weight: | 260.89 |
Molecular Formula: | C6HCl4NO2 |
Canonical SMILES: | C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)Cl |
InChI: | InChI=1S/C6HCl4NO2/c7-1-2(8)4(6(12)13)11-5(10)3(1)9/h(H,12,13) |
InChI Key: | GXFRQLQUKBSYQL-UHFFFAOYSA-N |
Boiling Point: | 360.8 °C at 760 mmHg |
Density: | 1.824 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD00185833 |
LogP: | 3.39340 |
GHS Hazard Statement: | H302+H312 (71.56%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.873189 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.876139 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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