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Home> Encyclopedia >Water Treatment Chemicals>Pharmaceutical Intermediates>Organic Intermediate
2-Phosphonobutane-1,2,4-tricarboxylic acid structure
2-Phosphonobutane-1,2,4-tricarboxylic acid structure

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

Iupac Name:2-phosphonobutane-1,2,4-tricarboxylic acid
CAS No.: 37971-36-1
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

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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:?IrritantXi;?HarmfulXn,?HarmfulXn,?IrritantXi
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

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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