3-Chloropropyl acetate - ≥98% , CAS No.628-09-1

CAS: 628-09-1 Cat. No.: C135233 Formula: CH₃CO₂(CH₂)₃Cl Peso molecolare: 136.58 Numero EC: 613-086-5

QUALITÀ & PUREZZA ≥98%

Synonyms

3-Chloropropyl acetate | 3-CHLORO-PROPYL ACETATE | BRN 1745110 | acetic acid 3-chloro-propyl ester | .gamma.-Chloropropyl acetate | 1-acetoxy-3-chloropropane | 3-Chlorprop-1-ylacetat [German] | 3-chloropropyl acetate;1-Acetoxy-3-chloropropane | 3-CHLOROPR

Storage

Room temperature

Shipped In

Normal

Panoramica

3-Chloropropyl acetate on reaction with strong base yields trimethylene oxide.

Specifiche

Sinonimi

3-Chloropropyl acetate | 3-CHLORO-PROPYL ACETATE | BRN 1745110 | acetic acid 3-chloro-propyl ester | .gamma.-Chloropropyl acetate | 1-acetoxy-3-chloropropane | 3-Chlorprop-1-ylacetat [German] | 3-chloropropyl acetate;1-Acetoxy-3-chloropropane | 3-CHLOROPR

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488181626

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181626

Sorrisi canonici

CC(=O)OCCCCl

IUPAC Name

3-chloropropyl acetate

InChIKey

KPOHQIPNNIMWRL-UHFFFAOYSA-N

INCHI

1S/C5H9ClO2/c1-5(7)8-4-2-3-6/h2-4H2,1H3

Isomeri SMILES

CC(=O)OCCCCl

WGK Germania

2

RTECS

UA8944000

Peso molecolare

136.58

Reaxy-Rn

1745110

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745110&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - 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
• Descrizione: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water (partly).
• Punto di infiammabilità (°F): 154.4 °F
• Punto di infiammabilità (°C): 68 °C
• Punto di ebollizione (°C): 80-81°C/30mmHg
• Peso molecolare: 136.580 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 136.029 Da
• Monoisotopic Mass: 136.029 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.800
• 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