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| CAS No.: | 37971-36-1 |
|---|---|
| Name: | 2-Phosphonobutane-1,2,4-tricarboxylic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C7H11O9P |
| Molecular Weight: | 270.133 |
| Synonyms: | PBS-AM;1,2,4-Butanetricarboxylic acid,2-phosphono-;PBTC;2-Phosphonobutane -1,2,4-Tricarboxylic Acid;2-Phosphonobutane-1,2,4-Tricarboxylic acid [PBTCA];2-Phosphonobutane-1,2,4-Tricarboxylic Acid(PBTCA);2-Butanephosphate-1,2,4-tricarboxylic acid (PBTC);PBTCA;2-Phosphonobutane 1,2,4-tricarboxylic acid (PBTC);PBTC 50%; |
| EINECS: | 253-733-5 |
| Density: | 1.835 g/cm3 |
| Boiling Point: | 545.2 °C at 760 mmHg |
| Flash Point: | 283.5 °C |
| Solubility: | 909g/L at 20℃ |
| Appearance: | Clear colorless to yellowish liquid |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 34 |
| Safety: | 26-45 |
| Transport Information: | UN 3265 |
| PSA: | 179.24000 |
| LogP: | -0.67300 |
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Chemistry
Molecule structure of 2-Phosphonobutane-1,2,4-tricarboxylic acid (CAS NO.37971-36-1) :
IUPAC Name: 2-phosphonobutane-1,2,4-tricarboxylic acid
Molecular Weight: 270.130601 g/mol
Molecular Formula: C7H11O9P
Density: 1.835 g/cm3
Boiling Point: 545.2 °C at 760 mmHg
Flash Point: 283.5 °C
Appreance: colorless or light yellow transparent liquid
Molar Volume: 147.1 cm3
Polarizability: 19.45*10-24 cm3
Surface Tension: 110 dyne/cm
Enthalpy of Vaporization: 90.11 kJ/mol
Vapour Pressure: 2.49E-13 mmHg at 25 °C
XLogP3-AA: -2.8
H-Bond Donor: 5
H-Bond Acceptor: 9
Rotatable Bond Count: 7
Exact Mass: 270.014068
MonoIsotopic Mass: 270.014068
Topological Polar Surface Area: 169
Heavy Atom Count: 17
Complexity: 383
Undefined Atom StereoCenter Count: 1
Canonical SMILES: C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O
InChI: InChI=1S/C7H11O9P/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16)
InChIKey: SZHQPBJEOCHCKM-UHFFFAOYSA-N
EINECS: 253-733-5
Product Categories: Industrial/Fine Chemicals; Phosphonate antiscalant
Uses
2-Phosphonobutane-1,2,4-tricarboxylic acid (CAS NO.37971-36-1) is a good corrosion and scale inhibitors. It is widely used in circulating cool water system and oilfield water injection system of anti-scaling treatment.
Production
Adding Moore's dimethyl phosphite and dimethyl maleate to reactor, in the Sodium peroxide catalyst, in the 100 ~ 105 °C reaction of 4h, produce intermediate (I). Transferred (I) to the condensation reactor, in the presence of a catalyst with the Micheal addition reaction of acrylic acid get intermediate (II). Moved (II) into the hydrolysis reactor, under the catalyzed hydrolysis, get the products.
Safety Profile
Hazard Codes: 
Xi; 
Xn, Xn, Xi
Risk Statements: 34
R34: Causes burns
Safety Statements: 26-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible)
RIDADR: UN 3265
HazardClass: 8
PackingGroup: III
Specification
2-Phosphonobutane-1,2,4-tricarboxylic acid (CAS NO.37971-36-1) is also called 2-Phosphonobutane-1,2,4-tricarbonic acid ; 2-Phosphonobutane-1,2,4-tricarboxylic acid ; 1,2,4-Butanetricarboxylic acid, 2-phosphono- . 2-Phosphonobutane-1,2,4-tricarboxylic acid (CAS NO.37971-36-1) is acid, alkali and oxidizing agents resistance. Shi It is not hydrolysis when pH> 14. It is thermal stability.