Cas no 286367-68-8 (Butanoic-2,4-13C2 acid,sodium salt (9CI))
286367-68-8 structure
Product Name:Butanoic-2,4-13C2 acid,sodium salt (9CI)
CAS No:286367-68-8
MF:C4H7NaO2
MW:112.072262048721
CID:248587
PubChem ID:24872710
Update Time:2025-04-19
Butanoic-2,4-13C2 acid,sodium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Butanoic-2,4-13C2 acid,sodium salt (9CI)
- sodium;(2,4-13C2)butanoate
- DTXSID30635687
- SCHEMBL1331084
- Sodium (2,4-~13~C_2_)butanoate
- 286367-68-8
- Sodium butyrate-2,4-13C2
-
- MDL： MFCD01073862
- Inchi： 1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1/i1+1,3+1;
- InChI Key： MFBOGIVSZKQAPD-CFARNWPNSA-M
- SMILES： [Na+].[O-]C([13CH2]C[13CH3])=O
Computed Properties
- Exact Mass: 112.04108341g/mol
- Monoisotopic Mass: 112.04108341g/mol
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 53.7
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 40.1?2
Experimental Properties
- Color/Form: Solids
- Melting Point: 250-253?°C (lit.)
- Solubility: Not determined
Butanoic-2,4-13C2 acid,sodium salt (9CI) Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H302-H312-H315-H319-H335
- Warning Statement： P261-P280-P305+P351+P338
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：1
- Hazard Category Code： 20/21/22-36/37/38
- Safety Instruction： 26-36
-
Hazardous Material Identification：
- Risk Phrases：20/21/22-36/37/38
Butanoic-2,4-13C2 acid,sodium salt (9CI) Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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