Methyl Malonyl Chloride - ≥97% , CAS No.37517-81-0

CAS: 37517-81-0 Cat. No.: M106674 Formule: C₄H₅ClO₃ Poids moléculaire: 136.53 Beilstein Registry Number: 1754078 Numéro CE: 253-540-6

GRADE & PURITY ≥97%

Synonyms

3-Chloro-3-oxopropionic Acid Methyl Ester | AKOS000121252 | Q-101210 | Chloramine Green GB | AI3-51039 | AS-15907 | (Chloroformyl)acetic Acid Methyl Ester | A823718 | BCP22276 | Methyl (Chloroformyl)acetate | methyl 3-chloro-3-oxopropanoate | methyl 3-chl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

3-Chloro-3-oxopropionic Acid Methyl Ester | AKOS000121252 | Q-101210 | Chloramine Green GB | AI3-51039 | AS-15907 | (Chloroformyl)acetic Acid Methyl Ester | A823718 | BCP22276 | Methyl (Chloroformyl)acetate | methyl 3-chloro-3-oxopropanoate | methyl 3-chl

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

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

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 508814838
• Sourires canoniques: COC(=O)CC(=O)Cl
• IUPAC Name: methyl 3-chloro-3-oxopropanoate
• InChIKey: UTBCRHAMJFMIIR-UHFFFAOYSA-N
• INCHI: 1S/C4H5ClO3/c1-8-4(7)2-3(5)6/h2H2,1H3
• Isomères SMILES: COC(=O)CC(=O)Cl
• WGK Allemagne: 3
• Numéro ONU: 3265
• Poids moléculaire: 136.53
• Beilstein: 1754078
• Reaxy-Rn: 1754078
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1754078&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dicarbonyl compounds
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-dicarbonyl compound - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acyl halide - Acyl chloride - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3-dicarbonyl compounds. These are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any group.
• 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

Propriétés chimiques et physiques

• Solubilité: Reacts with water.
• Sensibilité: heat sensitive;Moisture sensitive; light sensitive
• Indice de réfraction: 1.431-1.435
• Point d'éclair (°F): 176 °F
• Point d'éclair (°C): 80 °C
• Point d'ébullition (°C): 57-59°C
• Poids moléculaire: 136.530 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 135.993 Da
• Monoisotopic Mass: 135.993 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 110.000
• 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