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2013-26-5

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2013-26-5 Structure

2013-26-5 Structure

Identification	More
[Name] ALPHA-KETOBUTYRIC ACID SODIUM SALT
[CAS] 2013-26-5
[Synonyms] 2-KETOBUTYRIC ACID SODIUM SALT 2-KETO-N-BUTYRIC ACID SODIUM SALT 2-OXOBUTANOIC ACID SODIUM SALT 2-OXOBUTANOIC ACID SODIUM SALT, MONOHYDRATE 2-OXOBUTYRIC ACID SODIUM SALT A-KETOBUTYRIC ACID, SODIUM SALT ALPHA-KETOBUTRYIC ACID SODIUM SALT ALPHA-KETOBUTYRIC ACID, NA ALPHA-KETOBUTYRIC ACID SODIUM SALT ALPHA-KETOBUTYRIC ACID SODIUM SALT, MONOHYDRATE PROPIONYLFORMIC ACID, SODIUM SALT PROPIONYLFORMIC ACID SODIUM SALT, MONOHYDRATE SODIUM 2-KETOBUTYRATE SODIUM 2-OXOBUTYRATE 2-oxo-butanoicacisodiumsalt 2-oxo-butyricacisodiumsalt sodium2-oxobutanoate sodium-alpha-ketobutrate A-KETOBUTYRIC ACID SODIUM ALPHA-KETOBUTYRIC ACID SODIUM SALT WHITE POWDER
[EINECS(EC#)] 217-937-8
[Molecular Formula] C4H5NaO3
[MDL Number] MFCD00064194
[Molecular Weight] 124.07
[MOL File] 2013-26-5.mol

Chemical Properties	Back Directory
[Melting point ] 210 °C
[storage temp. ] 2-8°C
[form ] powder
[color ] white
[Water Solubility ] very faint turbidity
[BRN ] 3631701
[InChI] InChI=1S/C4H6O3.Na/c1-2-3(5)4(6)7;/h2H2,1H3,(H,6,7);/q;+1/p-1
[InChIKey] SUAMAHKUSIHRMR-UHFFFAOYSA-M
[SMILES] C(=O)(CC)C([O-])=O.[Na+]
[CAS DataBase Reference] 2013-26-5(CAS DataBase Reference)
[EPA Substance Registry System] Sodium 2-oxobutyrate (2013-26-5)

Safety Data	Back Directory
[Hazard Codes ] Xi
[Risk Statements ] R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ] S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing .
[WGK Germany ] 3
[RTECS ] ET5955900
[F ] 10
[TSCA ] TSCA listed
[HS Code ] 29183000
[Storage Class] 11 - Combustible Solids

Raw materials And Preparation Products	Back Directory
[Raw materials] Sodium hydroxide-->Bromine-->Hydrogen bromide-->N-Bromosuccinimide-->Oxalyl chloride-->Butyric Acid-->Pyridine sulfur trioxide-->2,3-Pentanedione-->2-Oxobutyric acid
[Preparation Products] 6-(Methoxycarbonyl)-3-Methyl-1H-Indole-2-Carboxylic Acid

Hazard Information	Back Directory
[Chemical Properties] White powder
[Uses] Sodium 2-oxobutyrate can be used in the preparation of metal complexes such as lanthanide poly(imino carboxylate) complexes and half-sandwich complexes of (S)-1-amino-2-(methoxymethyl)-pyrrolidine. It can also be used in the synthesis of antiviral agents, 6-azapyrimidine-2′-deoxy-4′-thionucleosides.

Spectrum Detail	Back Directory
[Spectrum Detail] ALPHA-KETOBUTYRIC ACID SODIUM SALT(2013-26-5)¹HNMR ALPHA-KETOBUTYRIC ACID SODIUM SALT(2013-26-5)¹³CNMR ALPHA-KETOBUTYRIC ACID SODIUM SALT(2013-26-5)IR1 ALPHA-KETOBUTYRIC ACID SODIUM SALT(2013-26-5)IR2

Well-known Reagent Company Product Information	Back Directory
[Sigma Aldrich] 2013-26-5(sigmaaldrich)
[TCI AMERICA] Sodium 2-Oxobutyrate,>98.0%(T)(2013-26-5)

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