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181274-15-7

181274-15-7 Structure

181274-15-7 Structure
IdentificationBack Directory
[Name]

Procarbazone sodium
[CAS]

181274-15-7
[Synonyms]

UK 657
MK 6561
OLYMPUS
ATTRIBUT
MKH 6561
procarbazone
Bay MKH 6561
Procarbazone sodium
PROPOXYCARBAZONE SODIUM
PROPOXYCARBAZONE SODIUM SALT
1-propoxycarbazone, sodiuM salt
propoxycarbazone sodium(bsi,iso)
Propoxycarbazone Sodium salt, Pestanal
2-[(4-methyl-5-oxo-3-propoxy-1,2,4-triazolin-1-yl)carbamidosulfonyl]benzoic acid methyl ester sodium salt
2-[(4-METHYL-5-OXO-3-PROPOXY-1,2,4-TRIAZOLIN-1-YL)CARBAMIDOSULFONYL]BENZOIC ACID METHYL ESTER SODIUM SALT
methyl-2-(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl) carboxamideo sulfonylbenzoate sodium salt
Methyl 2-((((4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl)amino)sulfonyl)benzoate sodium salt
methyl 2-((((4,5-dihydro-4-methyl-5-oxo-3-propoxy-1h-1,2,4-triazol-1-yl)carbonyl)amino)sulfonyl)benzoate sodium salt
Sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]azanide
[Molecular Formula]

C15H17N4NaO7S
[MDL Number]

MFCD04112619
[MOL File]

181274-15-7.mol
[Molecular Weight]

420.37
Chemical PropertiesBack Directory
[Melting point ]

230–240°C (under decomposition)
[storage temp. ]

0-6°C
[solubility ]

Solubilities in organic solvents (g/l at 20 °C) Dimethylsulfoxide: 190 Poly(ethylene glycol): 5.2 Acetonitrile: 0.9 2‐Propanol: <0.1 Xylene: <0.1
[form ]

neat
[pka]

The free acid produced by protonation under acidic conditions has a pKa of 2.1 (at 20 °C)
[Water 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
[Stability:]

Hygroscopic
[InChI]

InChI=1S/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
[InChIKey]

JRQGDDUXDKCWRF-UHFFFAOYSA-M
[SMILES]

N1(N=C(OCCC)N(C)C1=O)C(=O)N([Na])S(=O)(=O)C1=CC=CC=C1C(OC)=O
[CAS DataBase Reference]

181274-15-7
[EPA Substance Registry System]

Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino] sulfonyl]-, methyl ester, sodium salt(181274-15-7)
Safety DataBack Directory
[Hazard Codes ]

N
[Risk Statements ]

50/53
[Safety Statements ]

60-61
[RIDADR ]

UN3077 9/PG 3
[WGK Germany ]

2
[Hazardous Substances Data]

181274-15-7(Hazardous Substances Data)
[Toxicity]

LD50 in rats (mg/kg): >5000 orally; >5000 dermally; LC50 in rats (mg/m3): >5030 in air by inhalation; LC50 (96 hr) in bluegill sunfish, rainbow trout (mg/l): >94.7; >77.6 (Feucht)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Dimethyl sulfide-->Cyanhydric acid-->triazoline
Hazard InformationBack Directory
[Chemical Properties]

The pure product is a colorless, odorless powdery crystal. Its mp is 230-240°C, with decomposition occurring during melting. Its relative density is 1.42 (20°C), its vapor pressure is <1×10-8 Pa (20°C), and its partition coefficients are -0.30 (pH=4.0), -1.55 (pH=7.0), and -1.59 (pH=9.0). Its solubility at 20°C is 1.50 g/L in dichloromethane, <0.1 g/L in n-heptane, <0.1 g/L in xylene, <0.1 g/L in isopropyl alcohol, and 42 g/L (pH=7-9) and 2.9 g/L (pH=4.5) in water. It is stable in air at room temperature and readily degrades in soil, with a half-life of 9 days.
[Uses]

Herbicide.
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