Methyl chloroacetate - CP, ≥98% , CAS No.96-34-4

CAS: 96-34-4 Cat. No.: M104121 Summenformel: C₃H₅ClO₂ Molekulargewicht: 108.52 Beilstein Registry Number: 506255 EG-Nummer: 202-501-1

GRADE & PURITY CP, ≥98%

Synonyms

Q188382 | methyl 2-chloroacetate | methyl 2-chloro-acetate | Methyl monochloroacete | NSC 2635 | 2-Chloroacetic acid methyl ester | 2-chloro-acetic acid methyl ester | 2-Chloroacetic Acid Methyl Ester;Methyl Monochloroacetate; Methyl (c) paragraph sign-Ch

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyme

Q188382 | methyl 2-chloroacetate | methyl 2-chloro-acetate | Methyl monochloroacete | NSC 2635 | 2-Chloroacetic acid methyl ester | 2-chloro-acetic acid methyl ester | 2-Chloroacetic Acid Methyl Ester;Methyl Monochloroacetate; Methyl (c) paragraph sign-Ch

Spezifikationen & Reinheit

CP, ≥98%

Storage

Room temperature

Verschickt in

FedEx DG Service

Note

CP

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508814190

Kanonisches Lächeln

COC(=O)CCl

IUPAC Name

methyl 2-chloroacetate

InChIKey

QABLOFMHHSOFRJ-UHFFFAOYSA-N

INCHI

1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3

Isomere SMILES

COC(=O)CCl

WGK Deutschland

2

RTECS

AF9500000

UN-Nummer

2295

Verpackungsgruppe

I

Molekulargewicht

108.52

Beilstein

506255

Reaxy-Rn

506255

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506255&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Ebene5 Carboxylic acid esters
          • Ebene6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Methyl esters
• Alternative Parents: Alpha-halocarboxylic acid derivatives Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl ester - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive.
• Brechungsindex: 1.419～1.420
• Flammpunkt (°F): 116.6 °F
• Flammpunkt (°C): 50℃
• Siedepunkt (°C): 130～132°C
• Schmelzpunkt (°C): -33°C
• Molekulargewicht: 108.520 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 107.998 Da
• Monoisotopic Mass: 107.998 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 52.800
• 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