Sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]azanide

Basic Information

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CAS Number

181274-15-7

Molecular Formula

C15H17N4NaO7S

Molecular Weight

420.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

230-240° (dec)

Boiling Point

546°C at 760 mmHg

Density

1.42 at 20 °C

Flash Point

284°C

Solubility

DMSO (Slightly), Methanol (Slightly)

SMILES

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CCCOC1=NN(C(=O)N1C)C(=O)[N-]S(=O)(=O)C2=CC=CC=C2C(=O)OC.[Na+]

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

LogP

log Kow (20 °C): -0.30 (pH 4 -1.55 (pH 7 -1.59 (pH 9)

Complexity

737

Safety Information

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GHS Hazard Pictograms

H410

Hazard Statement

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

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)

Synonyms & References

English

Propoxycarbazone sodium 10 microg/mL in Acetonitrile
Propoxycarbazone sodium salt, PESTANAL(R), analytical standard
181274-15-7
sodium;(2-methoxycarbonylphenyl)sulfonyl-(4-methyl-5-oxo-3-propoxy-1,2,4-triazole-1-carbonyl)azanide
Procarbazone sodium
Propoxycarbazone sodium salt
sodium (2-(methoxycarbonyl)phenylsulfonyl)(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazole-1-carbonyl)amide
DTXSID9034864
CAS-181274-15-7
Tox21_301132
DTXCID7014864
CHEMBL3183019
NCGC00255031-01
METHYL 2-((((4,5-DIHYDRO-4-METHYL-5-OXO-3-PROPOXY-1H-1,2,4- TRIAZOL-1-YL)CARBONYL)AMINO)SULFONYL)BENZOATE SODIUM SALT
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
B7Z8Z1D27B
J-011579
BAY-MKH-6561
Q27274480
ATTRIBUT
sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]azanide
Propoxycarbazone sodium 100 microg/mL in Acetonitrile
Propoxycarbazone sodium
MKH-6561
PROPOXYCARBAZONE SODIUM SALT [MI]
Procarbazonesodium
Propoxycarbazone-sodium [ISO]
Propoxycarbazone-sodium
NS00096375
PROPOXYCARBAZONE-NA
PROCARBAZONE SODIUM [HSDB]

MDL Number

MFCD04112619

FAQ

What is Sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]azanide (CAS: 181274-15-7)?

Sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]azanide is a complex organic compound that serves as a precursor in organic synthesis and pharmaceuticals. This compound contains elements of carbon, hydrogen, nitrogen, oxygen, and sulfur. It is used in the preparation of other compounds and in research settings due to its unique chemical structure.

What are the main uses of Sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]azanide (CAS: 181274-15-7)?

Sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]azanide is primarily used as a reagent in organic synthesis and pharmaceutical research. It is also utilized in the development of new drug molecules and as an intermediate in the synthesis of other compounds.

Is Sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]azanide (CAS: 181274-15-7) safe?

While Sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]azanide is generally safe under controlled laboratory conditions, it is important to follow proper safety protocols. It should be handled with care, using appropriate personal protective equipment (PPE) such as gloves and goggles. Avoid contact with eyes and skin, and ensure proper ventilation. Disposal should be in accordance with local regulations.

How should Sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]azanide (CAS: 181274-15-7) be stored?

Sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]azanide should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and contamination. Storage temperature should not exceed 25°C. Handle with care to avoid breakage, as physical damage can lead to increased exposure risk.