2-Chloroacrylicacid - ≥98%, stabilized with BHT , CAS No.598-79-8

CAS: 598-79-8 Cat. No.: C589611 Formula: C₃H₃ClO₂ Peso molecolare: 106.51 Numero EC: 209-953-9

QUALITÀ & PUREZZA ≥98%, stabilized with BHT

Synonyms

EINECS 209-953-9 | SCHEMBL66157 | 2-chloroprop-2-enoic acid | UNII-N6B9YWM4XU | 2-CHLORO-2-PROPENOIC ACID | 2-Propenoic acid, 2-chloro- | MFCD00014336 | NSC 97174 | EN300-147844 | 2-Chloroacrylic acid | BRN 1098503 | .alpha.-Chloroacrylic acid | alpha-Chl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Panoramica

2-Chloroacrylic acid is used as a halochemicals, organic synthesis.

Specifiche

Sinonimi

EINECS 209-953-9 | SCHEMBL66157 | 2-chloroprop-2-enoic acid | UNII-N6B9YWM4XU | 2-CHLORO-2-PROPENOIC ACID | 2-Propenoic acid, 2-chloro- | MFCD00014336 | NSC 97174 | EN300-147844 | 2-Chloroacrylic acid | BRN 1098503 | .alpha.-Chloroacrylic acid | alpha-Chl

Specifiche e purezza

≥98%, stabilized with BHT

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

C=C(C(=O)O)Cl

IUPAC Name

2-chloroprop-2-enoic acid

InChIKey

SZTBMYHIYNGYIA-UHFFFAOYSA-N

INCHI

1S/C3H3ClO2/c1-2(4)3(5)6/h1H2,(H,5,6)

Isomeri SMILES

C=C(C(=O)O)Cl

Numero NSC

NSC Number': ['97174

Peso molecolare

106.51

Reaxy-Rn

1098503

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098503&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Vinyl chlorides Monocarboxylic acids and derivatives Chloroalkenes Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
• External Descriptors: Halogenated fatty acids

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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water.
• Punto di fusione (°C): 63-67℃
• Peso molecolare: 106.510 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 105.982 Da
• Monoisotopic Mass: 105.982 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 86.800
• 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