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| CAS No.: | 181274-15-7 |
|---|---|
| Name: | Procarbazone sodium |
| Molecular Structure: | |
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| Formula: | C15H17N4NaO7S |
| Molecular Weight: | 420.37 |
| Synonyms: | 2-[(4-Methyl-5-oxo-3-propoxy-1,2,4-triazolin-1-yl)carbamidosulfonyl]benzoic acid methyl ester sodium salt;Propoxycarbazone sodium salt;sodium [2-(methoxycarbonyl)benzenesulfonyl](4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazole-1-carbonyl)azanide;sodium,(2-methoxycarbonylphenyl)sulfonyl-(4-methyl-5-oxo-3-propoxy-1,2,4-triazole-1-carbonyl)azanide;sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]azanide;Procarbazone sodium;Propoxycarbazone-sodium; |
| Melting Point: | 230-240° (dec) |
| Boiling Point: | 546 °C at 760 mmHg |
| Flash Point: | 284 °C |
| Solubility: | Solubility in water (at 20 °C) : Unbuffered water and buffered between pH 7 and 9: 42 g/l. Solubility is not influenced by pH in the range pH 7-9. Solubility at pH 4.5: 2.9 g/l |
| Hazard Symbols: |
 N
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| Risk Codes: | 50/53 |
| Safety: | 26-36 |
| Transport Information: | UN3077 |
| PSA: | 138.18000 |
| LogP: | 1.36130 |
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Specification
The Procarbazone sodium, with the CAS registry number of 181274-15-7, is also known as Procarbazone sodium. This chemical's molecular formula is C15H17N4NaO7S and molecular weight is 420.37. What's more, its IUPAC name is Sodium (2-methoxycarbonylphenyl)sulfonyl-(4-methyl-5-oxo-3-propoxy-1,2,4-triazole-1-carbonyl)azanide. This chemical is prepared by reaction of Methylthioisocyanate with Propyl alcohol. It is a Phenylsulfonylureas herbicide used for the grass family weeds.
Physical properties about the Procarbazone sodium are: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 146.55 Å2; (13)Flash Point: 284 °C; (14)Enthalpy of Vaporization: 86.82 kJ/mol; (15)Boiling Point: 546 °C at 760 mmHg; (16)Vapour Pressure: 9.339999E-13 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. In addition, this chemical may impair fertility and cause harm to the unborn child.
You can still convert the following datas into molecular structure:
(1) SMILES:[Na+].O=S(=O)(/N=C(\[O-])N1/N=C(/OCCC)N(C1=O)C)c2ccccc2C(=O)OC
(2) InChI:InChI=1/C15H18N4O7S.Na/c1-4-9-26-14-16-19(15(22)18(14)2)13(21)17-27(23,24)11-8-6-5-7-10(11)12(20)25-3;/h5-8H,4,9H2,1-3H3,(H,17,21);/q;+1/p-1
(3) InChIKey:JRQGDDUXDKCWRF-REWHXWOFAR