Bis(2-chloroethoxy)methane - ≥97% , CAS No.111-91-1

CAS: 111-91-1 Cat. No.: B357160 분자식: C₅H₁₀Cl₂O₂ 분자량: 173.04 EC 번호: 203-920-2

GRADE & PURITY ≥97%

Synonyms

Formaldehyde bis(2-chloroethyl) acetal | RCRA waste no. U024 | 1-Chloro-2-[(2-chloroethoxy)methoxy]ethane | 1-chloro-2-(2-chloroethoxymethoxy)ethane | Ethane,1'-[methylenebis(oxy)]bis[2-chloro- | Di-2-chloroethyl formal | DTXCID203917 | NCGC00257838-01 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

Formaldehyde bis(2-chloroethyl) acetal | RCRA waste no. U024 | 1-Chloro-2-[(2-chloroethoxy)methoxy]ethane | 1-chloro-2-(2-chloroethoxymethoxy)ethane | Ethane,1'-[methylenebis(oxy)]bis[2-chloro- | Di-2-chloroethyl formal | DTXCID203917 | NCGC00257838-01 |

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥97%

이름과 식별자

• Pubchem Sid: 528770533
• 정식 스마일: C(CCl)OCOCCCl
• IUPAC Name: 1-chloro-2-(2-chloroethoxymethoxy)ethane
• InChIKey: NLXGURFLBLRZRO-UHFFFAOYSA-N
• INCHI: 1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2
• 이성체 SMILES: C(CCl)OCOCCCl
• RTECS: PA3675000
• UN 번호: 2810
• 포장 그룹: I
• 분자량: 173.04
• Reaxy-Rn: 1698909
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698909&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetals
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetal - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups.
• 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

관련 대상(비인간)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water (partly miscible).
• 굴절률: n20D1.45
• 끓는점(°C): 218° C
• 녹는점(°C): -32.8° C
• 분자량: 173.030 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 172.006 Da
• Monoisotopic Mass: 172.006 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 46.200
• 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