(±)-Epichlorohydrin - 1000mg/L,Solvent: dichloromethane , CAS No.106-89-8

CAS: 106-89-8 Cat. No.: E325686 Formule: C₃H₅ClO Poids moléculaire: 92.52 Beilstein Registry Number: 79785 Numéro CE: 203-439-8

GRADE & PURITY 1000mg/L,Solvent: dichloromethane

Synonyms

beta-epoxypropylchloride | CCRIS 277 | a-Epichlorohydrin | CHEBI:37144 | Epichlorohydrin, >=99% | Propane, 1-chloro-2,3-epoxy- | (rac)-epichlorohydrin | 3-Chloropropene-1,2-oxide | Epoxy-3-chloropropane | 1-Chloro-2,3-epoxy propone | epichlorohydrine | ep

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonymes

beta-epoxypropylchloride | CCRIS 277 | a-Epichlorohydrin | CHEBI:37144 | Epichlorohydrin, >=99% | Propane, 1-chloro-2,3-epoxy- | (rac)-epichlorohydrin | 3-Chloropropene-1,2-oxide | Epoxy-3-chloropropane | 1-Chloro-2,3-epoxy propone | epichlorohydrine | ep

Spécifications et pureté

1000mg/L,Solvent: dichloromethane

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice,FedEx DG Service

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

Noms et identifiants

Pubchem Sid

528773282

Sourires canoniques

C1C(O1)CCl

IUPAC Name

2-(chloromethyl)oxirane

InChIKey

BRLQWZUYTZBJKN-UHFFFAOYSA-N

INCHI

1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2

Isomères SMILES

C1C(O1)CCl

Numéro ONU

2023

Groupe d'emballage

II

Poids moléculaire

92.52

Beilstein

79785

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
    • Classe Epoxides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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: organochlorine compound - epoxide

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

Cibles associées (humaines)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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Lymphoblastoid cell (5959 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: light sensitive
• Indice de réfraction: 1.4382
• Point d'éclair (°C): 32℃
• Point d'ébullition (°C): 116.11°C
• Point de fusion (°C): -25.6°C
• Poids moléculaire: 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: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1