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

CAS: 471-25-0 Cat. No.: P109569 分子式: C₃H₂O₂ 分子量: 70.05 Beilstein Registry Number: 878176 EC番号: 207-437-8

グレード＆純度 ≥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

概要

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.

仕様

同義語

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 | もっと見る

仕様と純度

≥95%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice,FedEx DG Service

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

パブケム・シド

508811670

カノニカル・スマイル

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)

異性体SMILES

C#CC(=O)O

WGKドイツ

3

RTECS

UD9300000

UN番号

2920

包装グループ

II

分子量

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
    • 分類 Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Miscible with water, ether, ethanol and chloroform.
• 感度: Light sensitive;Moisture sensitive
• 屈折率: 1.4290 to 1.4350
• 引火点（°F）: 136.4 °F
• 引火点（°C）: 58℃
• 沸点（°C）: 58°C/12mmHg
• 融点（°C）: 16-18°C
• 分子量: 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