(S)-(+)-Epichlorohydrin - ≥98% , CAS No.67843-74-7

CAS: 67843-74-7 Cat. No.: E100521 Summenformel: C₃H₅ClO Molekulargewicht: 92.52 Beilstein Registry Number: 1420784 EG-Nummer: 482-080-0

GRADE & PURITY ≥98%

Synonyms

Q-200031 | (S)-(+)-2-(Chloromethyl)oxirane | (s)-epichlorohydrine | 2-(Chloromethyl)oxirane # | (S)-2-chloromethyloxirane | (S)-2-chloromethyl-oxirane | AC-7035 | CCRIS 6388 | E0533 | (S)-Chloromethyloxirane | DU-A 4 | tri-fluoro acetic anhydride | (S)-(C

Storage

Lagerung bei 2-8°C, Argon geladen

Shipped In

Nasses Eis

Übersicht

Chiraler Baustein für die enantioselektive Synthese von Hydroxyisoxazolidinen und (+)-cis-Sylvaticin, einem potenziellen Antitumormittel.

Verwendung bei der Totalsynthese von Macquarimicinen und bei der Totalsynthese des Makrolids RK-397.

Verwendet zur Synthese von Inhibitoren der Fettsäureoxidation als potenzielle Stoffwechselmodulatoren.

Specifications

Synonyme

Q-200031 | (S)-(+)-2-(Chloromethyl)oxirane | (s)-epichlorohydrine | 2-(Chloromethyl)oxirane # | (S)-2-chloromethyloxirane | (S)-2-chloromethyl-oxirane | AC-7035 | CCRIS 6388 | E0533 | (S)-Chloromethyloxirane | DU-A 4 | tri-fluoro acetic anhydride | (S)-(C

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei 2-8°C, Argon geladen

Verschickt in

Nasses Eis

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 508806745
• Kanonisches Lächeln: C1C(O1)CCl
• IUPAC Name: (2S)-2-(chloromethyl)oxirane
• InChIKey: BRLQWZUYTZBJKN-GSVOUGTGSA-N
• INCHI: 1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m1/s1
• Isomere SMILES: C1[C@H](O1)CCl
• WGK Deutschland: 3
• RTECS: RR0427100
• UN-Nummer: 2023
• Verpackungsgruppe: II
• Molekulargewicht: 92.52
• Beilstein: 1420784
• Reaxy-Rn: 79785
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=79785&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Epoxides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Epoxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Epoxides
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxacycle - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as epoxides. These are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms).
• External Descriptors: epichlorohydrin

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

• Löslichkeit: Miscible with chloroform and methanol. Immiscible with water.
• Empfindlichkeit: Moisture sensitive.
• Brechungsindex: 1.4365-1.4385
• Spezifische Drehung [α]: 45 ° (neat)
• Flammpunkt (°F): 89.6 °F
• Flammpunkt (°C): 33 °C
• Siedepunkt (°C): 114°C
• Molekulargewicht: 92.520 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 92.0029 Da
• Monoisotopic Mass: 92.0029 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 37.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Referenzen

1. Yongxing Guo, Jinghua Zhao, Limin Wu, Wei Liu, Yi Li, Yonggang Yang.  (2024)  Structural coloured epoxy resin patterns prepared using thermochromic epoxy liquid crystal mixtures.  NEW JOURNAL OF CHEMISTRY,  48  (10): (4598-4605).  [PMID:] [10.1039/D3NJ05776C]

2. Sheng Cai, Jian-Qiang Jin, Xiao-Ling Tang, Ren-Chao Zheng, Yu-Guo Zheng.  (2026)  Controlling Enantioselectivity of Halohydrin Dehalogenase for Asymmetric Synthesis of Chiral Epichlorohydrin.  BIOTECHNOLOGY AND BIOENGINEERING,      [PMID:41486681] [10.1002/bit.70151]