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125401-92-5

Basic Information
CAS No.: 125401-92-5
Name: Bispyribac-sodium
Molecular Structure:
Molecular Structure of 125401-92-5 (Bispyribac-sodium)
Formula: C19H18N4NaO8
Molecular Weight: 452.35
Synonyms: Benzoicacid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt (9CI);Designee;KIH 2023;Nominee;Regiment;Short-keep;V 10029;Sodium 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoate;Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt (1:1);2,6-Bis((4,6-dimethoxy-2-pyrimidinyl)oxy)-benzoic acid sodium salt;
EINECS:
Density: 1.379 g/cm3
Melting Point: 223-224 °C
Boiling Point: 686.4oC at 760 mmHg
Flash Point: 368.9oC
Solubility: 73.3 g/L at 20 °C in water, 0.043g/L in acetone, 26.3g/L in methanol
Appearance: White powder
Hazard Symbols: Xi
Risk Codes: 36
Safety: 26
Transport Information:
PSA: 147.07000
LogP: 1.24910
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    Product name: Bispyribac Sodium TC CAS No.:125401-92-5 Molecule Formula:C19H17N4NaO8 Molecule Weight:452.35 Purity: 95.1% Package: 25kg/drum Description:White crystalline powder Manufacture Standards:Enterprise Standard

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Specification

The Bispyribac-sodium, with the CAS registry number 125401-92-5, is also known as 2,6-Bis((4,6-dimethoxy-2-pyrimidinyl)oxy)-benzoic acid sodium salt. This chemical's molecular formula is C19H18N4NaO8 and molecular weight is 452.35. What's more, its systematic name is Sodium 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoate. Its classification code is Herbicide. This chemical is a kind of low-toxic and super efficient herbicides, and it is mainly used for the prevention and control of weeds. Its storage temperature is 0 - 6 °C.

Physical properties of Bispyribac-sodium are: (1)#H bond acceptors: 12; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 11; (4)Polar Surface Area: 133.24 Å2.

Preparation of Bispyribac-sodium: this chemical can be prepared by 2, 6-dihydroxy-benzoic acid and 2-methylsulfonyl-4, 6-dimethoxy pyrimidine at the anhydrous condition. This reaction will need reagent sodium hydride and solvent tetrahydrofuran. The yield is about 28%.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].COc1nc(nc(OC)c1)Oc3cccc(Oc2nc(cc(OC)n2)OC)c3C([O-])=O
(2)Std. InChI: InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1
(3)Std. InChIKey: FUHMZYWBSHTEDZ-UHFFFAOYSA-M

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3524mg/kg (3524mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 25, Pg. 71, 2000.
rat LC50 inhalation > 4480mg/m3/4H (4480mg/m3)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 25, Pg. 71, 2000.
rat LD50 oral 2635mg/kg (2635mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 25, Pg. 71, 2000.
rat LD50 skin > 2gm/kg (2000mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 25, Pg. 71, 2000.