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CAS No.: | 123343-16-8 |
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Name: | Pyrithiobac-sodium |
Molecular Structure: | |
Formula: | C13H11ClN2O38S.Na |
Molecular Weight: | 348.74 |
Synonyms: | Benzoicacid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt (9CI);DPX-PE 350;KIH 2031;Pyrithiobac sodium salt;Staple;Staple 85SP; |
Melting Point: | 233-234 °C |
Boiling Point: | 546.4 °C at 760 mmHg |
Flash Point: | 284.3 °C |
Solubility: | water: 705 g/L (pH7) |
PSA: | 109.67000 |
LogP: | 1.66190 |
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Product Name: Pyrithiobac-sodium (CAS NO.123343-16-8)
Molecular Formula: C13H10ClN2NaO4S
Molecular Weight: 348.74g/mol
Mol File: 123343-16-8.mol
Melting Point: 233-234°C
Boiling point: 546.4 °C at 760 mmHg
Storage Temperature: 0-6°C
Flash Point: 284.3 °C
Water Solubility: 705 g/L (pH7)
Enthalpy of Vaporization: 86.88 kJ/mol
Vapour Pressure: 8.97E-13 mmHg at 25°C
H-Bond Donor: 0
H-Bond Acceptor: 6
Structure Descriptors of Pyrithiobac-sodium (CAS NO.123343-16-8):
IUPAC Name: sodium 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoate
Canonical SMILES: COC1=CC(=NC(=N1)SC2=C(C(=CC=C2)Cl)C(=O)[O-])OC.[Na+]
InChI: InChI=1S/C13H11ClN2O4S.Na/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18;/h3-6H,1-2H3,(H,17,18);/q;+1/p-1
InChIKey: CNILNQMBAHKMFS-UHFFFAOYSA-M
Pyrithiobac-sodium , its CAS NO. is 123343-16-8, the synonyms are Sodium 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio0benzoate ; Sodium 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoate ; Staple ; Staple 85SP ; Benzoic acid, 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio)-, sodiu, salt ; Benzoic acid, 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio)-, sodium salt .