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

CAS: 67843-74-7 Cat. No.: E100521 分子式: C₃H₅ClO 分子量: 92.52 Beilstein Registry Number: 1420784 EC番号: 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

Store at 2-8°C,Argon charged

Shipped In

Wet ice

概要

Chiral building block in the enantioselective syntheses of hydroxyisoxazolidines and (+)-cis-sylvaticin, a potential antitumor agent.

Used in the total synthesis of Macquarimicinsand in the total synthesis of the macrolide RK-397.

Used to synthesize inhibitors of fatty acid oxidation as potential metabolic modulators.

Specifications

同義語

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

仕様と純度

≥98%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

508806745

カノニカル・スマイル

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

異性体SMILES

C1[C@H](O1)CCl

WGKドイツ

3

RTECS

RR0427100

UN番号

2023

包装グループ

II

分子量

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
    • 分類 Epoxides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Miscible with chloroform and methanol. Immiscible with water.
• 感度: Moisture sensitive.
• 屈折率: 1.4365-1.4385
• 比旋光度［α］: 45 ° (neat)
• 引火点（°F）: 89.6 °F
• 引火点（°C）: 33 °C
• 沸点（°C）: 114°C
• 分子量: 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