Epichlorohydrin-d5 - ≥98 atom% D,≥98% , CAS No.69533-54-6

CAS: 69533-54-6 Cat. No.: E137334 분자식: C₃D₅ClO 분자량: 97.56 EC 번호: 685-801-9

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

Epichlorohydrin-d5|69533-54-6|2-[chloro(dideuterio)methyl]-2,3,3-trideuteriooxirane|Oxirane-d3, (chloromethyl-d2)-|DTXSID60584038|2-[chloro(?H?)methyl](?H?)oxirane|AKOS015913621|D98937|2-[Chloro(~2~H_2_)methyl](~2~H_3_)oxirane|Epichlorohydrin-d5, >=98 ato

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

동의어

Epichlorohydrin-d5 | 69533-54-6 | 2-[chloro(dideuterio)methyl]-2,3,3-trideuteriooxirane | Oxirane-d3, (chloromethyl-d2)- | DTXSID60584038 | 2-[chloro(?H?)methyl](?H?)oxirane | AKOS015913621 | D98937 | 2-[Chloro(~2~H_2_)methyl](~2~H_3_)oxirane | Epichlorohydrin-d5, >=98 ato

사양 및 순도

≥98 atom% D,≥98%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥98 atom% D,≥98%

이름과 식별자

• Pubchem Sid: 508814759
• 정식 스마일: C1C(O1)CCl
• IUPAC Name: 2-[chloro(dideuterio)methyl]-2,3,3-trideuteriooxirane
• InChIKey: BRLQWZUYTZBJKN-UXXIZXEISA-N
• INCHI: 1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/i1D2,2D2,3D
• 이성체 SMILES: [2H]C1(C(O1)([2H])C([2H])([2H])Cl)[2H]
• WGK 독일: 3
• 분자량: 97.56
• 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: 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

화학 및 물리적 특성

• 감도: light sensitive
• 특정 회전[α]: n20/D 1.438
• 발화점(°F): 91.4 °F
• 발화점(°C): 33 °C
• 끓는점(°C): 115-117 °C
• 녹는점(°C): −57 °C
• 분자량: 97.550 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 97.0343 Da
• Monoisotopic Mass: 97.0343 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 37.900
• Isotope Atom Count: 5
• 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