3-Phosphonopropionic acid - ≥94% , CAS No.5962-42-5

CAS: 5962-42-5 Cat. No.: P113856 Summenformel: C₃H₇O₅P Molekulargewicht: 154.06 EG-Nummer: 227-738-8

GRADE & PURITY ≥94%

Synonyms

2-Carboxyethanephosphonic acid | 1iig | EINECS 227-738-8 | (2-Carboxyethyl)phosphonic Acid | 3-phosphopropionate | beta-Phosphonopropionic acid | CEPA cpd | CHEMBL1088324 | 8DM1R7808M

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

2-Carboxyethanephosphonic acid | 1iig | EINECS 227-738-8 | (2-Carboxyethyl)phosphonic Acid | 3-phosphopropionate | beta-Phosphonopropionic acid | CEPA cpd | CHEMBL1088324 | 8DM1R7808M

Spezifikationen & Reinheit

≥94%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥94%

Namen und Kennungen

Pubchem Sid

508809089

Kanonisches Lächeln

C(CP(=O)(O)O)C(=O)O

IUPAC Name

3-phosphonopropanoic acid

InChIKey

NLBSQHGCGGFVJW-UHFFFAOYSA-N

INCHI

1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)

Isomere SMILES

C(CP(=O)(O)O)C(=O)O

WGK Deutschland

3

RTECS

UA2558437

UN-Nummer

3261

Molekulargewicht

154.06

Reaxy-Rn

1768923

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1768923&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Organic phosphonic acids and derivatives
      • Subclass Organic phosphonic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Organic phosphonic acids and derivatives
• Subclass: Organic phosphonic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic phosphonic acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organophosphonic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water。
• Empfindlichkeit: Moisture sensitive
• Flammpunkt (°F): 302 °F
• Flammpunkt (°C): 150℃
• Schmelzpunkt (°C): 165-166°C
• Molekulargewicht: 154.060 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 154.003 Da
• Monoisotopic Mass: 154.003 Da
• Topological Polar Surface Area: 94.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 146.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1