(±)-Epichlorohydrin - Standard for GC, ≥99.7%(GC) , CAS No.106-89-8

CAS: 106-89-8 Cat. No.: E108181 분자식: C₃H₅ClO 분자량: 92.52 Beilstein Registry Number: 79785 EC 번호: 203-439-8

GRADE & PURITY Standard for GC, ≥99.7%(GC)

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

Room temperature

Shipped In

FedEx DG Service

Specifications

동의어

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

사양 및 순도

Standard for GC, ≥99.7%(GC)

보관 조건

Room temperature

배송

FedEx DG Service

등급

Standard for GC

순수함

≥99.7%(GC)

이름과 식별자

Pubchem Sid

508814756

정식 스마일

C1C(O1)CCl

IUPAC Name

2-(chloromethyl)oxirane

InChIKey

BRLQWZUYTZBJKN-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

C1C(O1)CCl

UN 번호

2023

포장 그룹

II

분자량

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
    • 분류 Epoxides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Slightly soluble in water, miscible with alcohols, ethers, carbon tetrachloride, and benzene.
• 굴절률: 1.4382
• 발화점(°C): 32℃
• 끓는점(°C): 116.11°C
• 녹는점(°C): -25.6°C
• 분자량: 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