Propiolic acid - ≥95% , CAS No.471-25-0

CAS: 471-25-0 Cat. No.: P109569 Formule: C₃H₂O₂ Poids moléculaire: 70.05 Beilstein Registry Number: 878176 Numéro CE: 207-437-8

QUALITÉ & PURETÉ ≥95%

Synonyms

Propinsaeure|Acetylenecarboxylic acid|prop-2-ynoic acid|Acetylenemonocarboxylate|Propargylic acid|propinic acid|2-PROPYNE-1-CARBOXYLIC ACID|acetylenemonocarboxylic acid|HC.$.CCOOH|propiolate|Acetylene carboxylic acid|HC#CCOOH|PROPIOLIC ACID|2-Propynoic acid|PROPIOLIC ACID [MI]|HC.equiv.CCOOH|Propiolsaeure|Propynoic acid

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Vue d’ensemble

It possesses the dual characteristics of alkyne and carboxylic acid, and can undergo reduction, addition, oxidation, esterification, cyclization, as well as reactions such as salt formation and acyl chloride generation. It is soluble in water. It is used as a reagent for synthesizing transition metal complexes, haloalkyl propynoates and haloacrylates.

Spécifications

Synonymes

Propinsaeure | Acetylenecarboxylic acid | prop-2-ynoic acid | Acetylenemonocarboxylate | Propargylic acid | propinic acid | 2-PROPYNE-1-CARBOXYLIC ACID | acetylenemonocarboxylic acid | HC.$.CCOOH | propiolate | Acetylene carboxylic acid | HC#CCOOH | PROPIOLIC ACID | 2-Propynoic acid | PROPIOLIC ACID [MI] | HC.equiv.CCOOH | Propiolsaeure | Afficher plus

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice,FedEx DG Service

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

508811670

Sourires canoniques

C#CC(=O)O

IUPAC Name

prop-2-ynoic acid

InChIKey

UORVCLMRJXCDCP-UHFFFAOYSA-N

INCHI

1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)

Isomères SMILES

C#CC(=O)O

WGK Allemagne

3

RTECS

UD9300000

Numéro ONU

2920

Groupe d'emballage

II

Poids moléculaire

70.05

Beilstein

878176

Reaxy-Rn

878176

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878176&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Acetylides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetylide - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• External Descriptors: terminal acetylenic compound - monounsaturated fatty acid - acetylenic fatty acid - short-chain fatty acid

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Miscible with water, ether, ethanol and chloroform.
• Sensibilité: Light sensitive;Moisture sensitive
• Indice de réfraction: 1.4290 to 1.4350
• Point d'éclair (°F): 136.4 °F
• Point d'éclair (°C): 58℃
• Point d'ébullition (°C): 58°C/12mmHg
• Point de fusion (°C): 16-18°C
• Poids moléculaire: 70.050 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 70.0055 Da
• Monoisotopic Mass: 70.0055 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 84.300
• 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