Isocitric acid trisodium salt supplier

Name
Isocitric acid trisodium salt
EINECS 216-668-3
CAS No. 1637-73-6
Density 1.751g/cm³
Solubility
Melting Point 86-88°C(lit.)
Formula C₆H₈O₇.3Na
Boiling Point 329.6°C at 760mmHg
Molecular Weight 258.07
Flash Point 167.4°C
Transport Information
Appearance white to almost white crystalline powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Isocitricacid, trisodium salt (8CI);Pentaric acid, 3-carboxy-2,3-dideoxy-, trisodiumsalt (9CI);Sodium isocitrate;Trisodium isocitrate;
PSA 140.62000
LogP -5.39670

Isocitric acid trisodium salt Specification

The CAS register number of Isocitric acid trisodium salt is 1637-73-6. It also can be called as DL-Isocitric acid and the systematic name about this chemical is Trisodium hydrogen 3-carboxylato-2,3-dideoxy-1-hydroxypropane-1,2,3-tricarboxylate.

Physical properties about Isocitric acid trisodium salt are: (1)ACD/LogP: -1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.75; (4)ACD/LogD (pH 7.4): -7.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 121.13Å²; (13)Flash Point: 167.4 °C; (14)Enthalpy of Vaporization: 66.3 kJ/mol; (15)Boiling Point: 329.6 °C at 760 mmHg; (16)Vapour Pressure: 1.3E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1.SMILES: Na+].[Na+].[Na+].[O-]C(=O)C(O)C(C(=O)[O-])CC([O-])=O
2.InChI: InChI=1/C6H8O7.3Na/c7-3(8)1-2(5(10)11)4(9)6(12)13;;;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;3*+1/p-3
3.InChIKey: HWMVXEKEEAIYGB-DFZHHIFOAN
4.Std. InChI: InChI=1S/C6H8O7.3Na/c7-3(8)1-2(5(10)11)4(9)6(12)13;;;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;3*+1/p-3

Product Name

Isocitric acid trisodium salt

Isocitric acid trisodium salt Specification

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