Sodium 2-oxobutyrate 2-羰基丁酸钠盐

CAS 2013-26-5 MFCD00064194

化学结构图

2013-26-5
SMILES: CCC(=O)C(=O)[O-].[Na+]

化学属性

Mol. FormulaC4H5NaO3
Mol. Weight124.07
Density1.422
Appearance powder
Melting Point210°C

别名和识别编码

Chemical Namesodium 2-oxobutanoate
Synonym Sodium 2-oxobutanoate {LY} Sodium 2-oxobutanoate {} {LY} Sodium 2-oxobutanoate {} {} {LY} Sodium 2-oxobutanoate {} {} {} {} {} {} {LY} Sodium 2-oxobutanoate {} {} {} {} {LY} Sodium 2-oxobutanoate {} {} {} {} {} {LY} Sodium 2-oxobutanoate {} {} {} {} {} {} {LY} Sodium 2-oxobutanoate {} {} {} {} {} {} {} {LY} Sodium 2-oxobutanoate {} {} {} {} {} {} {} {} {LY} Sodium 2-oxobutanoate {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Sodium 2-oxobutanoate {} {} {} {} {} {} {} {} {} {} {LY} Sodium 2-oxobutanoate {} {} {} {} {} {} {} {} {} {} {} {LY} Sodium 2-oxobutanoate {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Sodium 2-oxobutanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Sodium 2-oxobutanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Sodium 2-oxobutanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Sodium 2-oxobutanoate {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00064194
CAS Number2013-26-5
EC Number217-937-8
Beilstein Registry Number3631701
PubChem Substance ID23673454
Reaxys-RN3631701
Chemical Name Translation2-羰基丁酸钠盐
InChIKeySUAMAHKUSIHRMR-UHFFFAOYSA-M
Wiswesser Line NotationOVV2 &-NA-
LabNetwork Molecule IDLN00222923
InChIInChI=1S/C4H6O3.Na/c1-2-3(5)4(6)7;/h2H2,1H3,(H,6,7);/q;+1/p-1
Canonical SMILES[Na].O=C(O)C(=O)CC
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分类

  • {SNA} Amino Acid Library, Building Blocks, Carbonyl Compounds, Carboxylic Acid Salts, Cell Biology, Chemical Synthesis, Metabolic Libraries, Metabolomics, Organic Building Blocks
  • {uni_hamburg} no charge; carboxylate; ketone; 2fragments; ionic
  • {SNA} Amino Acid Library, Building Blocks, Carbonyl Compounds, Carboxylic Acid Salts, Chemical Synthesis, Metabolic Libraries, Metabolomics, Organic Building Blocks
  • {SNA} Amino Acid Library Collection, Building Blocks, Carbonyl Compounds, Carboxylic Acid S
  • {SNA} Building Blocks, Carbonyl Compounds, Carboxylic Acid Salts, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Short: III/5a Title: Structure Data of Organic Crystals: C ... C 13 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5a Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSET5955900
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8° 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2960 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   FATOAO Farmakologiya i Toksikologiya (Moscow).  For English translation, see
   PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2-   
   1939-  Volume(issue)/page/year: 42,221,1979

其他信息

  • Sigma Aldrich:2013-26-5(sigmaaldrich)
  • TCI Shanghai:2-氧代丁酸钠 Sodium 2-Oxobutyrate,>;98.0%(T)(2013-26-5)
  • 上游原料:氢氧化钠 --> 溴 --> 氢溴酸 --> N-溴代丁二酰亚胺 --> 草酰氯 --> 丁酸 --> 三氧化硫吡啶 --> 2,3-戊二酮 --> 2-酮丁酸
  • 2-羰基丁酸钠盐价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 K0040 2-氧代丁酸钠 Sodium 2-Oxobutyrate 5G 1360元
  • color:white
  • 用途一:用于生化研究，乳酸脱氢酶的底物，也用于诊断试剂中。
  • 图谱信息:2-羰基丁酸钠盐(2013-26-5)核磁图( 13 CNMR) 2-羰基丁酸钠盐(2013-26-5)核磁图( 1 HNMR)
  • F:10
  • MOL 文件:2013-26-5.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Organic Acids - Synthetic Reagents
  1. Life Science 生命科学
  2. Metabolomics 代谢组学
  3. Metabolic Libraries - Metabolomics
  4. Amino Acid Library - Metabolic Libraries
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acid Salts - Carbonyl Compounds
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Enzymes, Inhibitors, and Substrates - Biochemicals and Reagents
  4. Enzyme Substrates - Enzymes, Inhibitors, and Substrates
  5. Substrates by Enzyme - Enzyme Substrates
  6. Lactic Dehydrogenase - Substrates by Enzyme
  1. Functional Group 官能团索引
  2. carboxylic acid salt

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