2-Phosphonobutane-1,2,4-tricarboxylic acid

Iupac Name：2-phosphonobutane-1,2,4-tricarboxylic acid

Molecular Weight：270.130601

Modify Date.: 2022-11-25 02:14

Introduction:

Used as corrosion and scale inhibitor to treat industrial water. This product has excellent complexing ability with Ca2+, Zn2+, Cu2+, Mg2+ plasma. Suitable for use in the pH range of 7.0 to 9.5. It can be operated under high temperature, high hardness and high alkalinity conditions. The concentration ratio of circulating cooling water can be increased to more than 7. It is a good corrosion and scale inhibitor, widely used in the anti-scaling treatment of circulating cooling water systems and oilfield water injection systems; a good corrosion and scale inhibitor, widely used in the anti-scaling treatment of circulating cooling water systems and oilfield water injection systems. Used as a corrosion and scale inhibitor to treat industrial water

Corrosion inhibitors and anti-scaling agents

Cleaning and furnishing care products

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1. Names and Identifiers

: 1.1 Name; 2-Phosphonobutane-1,2,4-tricarboxylic acid; 1.2 Synonyms; 2,4-Butanetricarboxylicacid,2-phosphono-1 2-PHOSOPHONOBUTANE-1,2,4-TRICARBOXYLIC ACID 2-PHOSPHOBUTANE-1,2,4-TRICARBOXYLIC ACID 2-phosphono-1,2,4-butanetricarboxylic 2-Phosphono-1,2,4-butanetricarboxylicacid 2-Phosphonobutane -1,2,4-tricarboxylic acid 3-Carboxy-3-phosphonohexanedioic acid EINECS 253-733-5 MFCD01940753 PBTC PBTCA; View all

1.3 CAS No.: 37971-36-1

1.4 CID: 61973

1.5 EINECS(EC#): 253-733-5

1.6 Molecular Formula: C7H11O9P (isomer)

1.7 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)

1.8 InChIkey: SZHQPBJEOCHCKM-UHFFFAOYSA-N

1.9 Canonical Smiles: C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O

1.10 Isomers Smiles: C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O

2. Properties

2.1 Density: 1.25 (50% aq.)

2.1 Boiling point: 545.2 °C at 760 mmHg

2.1 Refractive index: 1.579

2.1 Flash Point: 283.5°C

2.1 Precise Quality: 270.01400

2.1 PSA: 179.24000

2.1 logP: -0.67300

2.1 Appearance: DryPowder; Liquid

2.2 pKa: 1.14±0.10(Predicted)

3. Safety and Handling

3.1 Hazard Codes: Xi

3.1 Risk Statements: R34

3.1 Safety Statements: S26;S45

3.1 Packing Group: III

3.1 Hazard Class: 8

3.1 Hazard Declaration: H302

3.1 RIDADR: UN 3265

3.1 Caution Statement: P261, P264, P270, P271, P280, P301+P312, P304+P312, P304+P340, P305+P351+P338, P312, P330, P337+P313, P501

3.1 Safety: 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

3.2 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.

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Corrosive to metals, Category 1

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H290 May be corrosive to metals H319 Causes serious eye irritation
Precautionary statement(s)
Prevention	P234 Keep only in original packaging. P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P390 Absorb spillage to prevent material damage. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention.
Storage	P406 Store in a corrosion resistant/...container with a resistant inner liner.
Disposal	none

2.3 Other hazards which do not result in classification

none

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5. Other Information

5.0 Mesh Entry Terms: 2-phosphonobutane-1,2,4-tricarboxylic acid

5.1 Production: 1,000,000 - 10,000,000 lb

5.2 Manufacturing Info: All other basic organic chemical manufacturing|1,2,4-Butanetricarboxylic acid, 2-phosphono-: ACTIVE

6. Computational chemical data

Molecular Weight: 270.130601g/mol
Molecular Formula: C₇H₁₁O₉P
Compound Is Canonicalized: True
XLogP3-AA: -2.8
Exact Mass: 270.01406892
Monoisotopic Mass: 270.01406892
Complexity: 383
Rotatable Bond Count: 7
Hydrogen Bond Donor Count: 5
Hydrogen Bond Acceptor Count: 9
Topological Polar Surface Area: 169
Heavy Atom Count: 17
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBgPAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGggACCAADACAgAAACAAAAhAIQACQCIAAAAAAAAAAAAEAAAAAABIAAAAAQAAEAAAAAAHLbgAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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PBTCA, 2-Phosphonobutane-1,2,4-tricarboxylic acid