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

CAS: 471-25-0 Cat. No.: P109569 Fórmula: C₃H₂O₂ Peso molecular: 70.05 Beilstein Registry Number: 878176 Número CE: 207-437-8

GRAU & PUREZA ≥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

Visão geral

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.

Especificações

Sinónimos

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 | Show more

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice,FedEx DG Service

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

508811670

Sorrisos canónicos

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)

SMILES isoméricas

C#CC(=O)O

WGK Alemanha

3

RTECS

UD9300000

Número UN

2920

Grupo de embalagem

II

Peso molecular

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
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Miscible with water, ether, ethanol and chloroform.
• Sensibilidade: Light sensitive;Moisture sensitive
• Índice de refração: 1.4290 to 1.4350
• Ponto de inflamação (°F): 136.4 °F
• Ponto de inflamação (°C): 58℃
• Ponto de ebulição (°C): 58°C/12mmHg
• Ponto de fusão (°C): 16-18°C
• Peso molecular: 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