Dichloroacetic acid-d₂ - ≥98 atom% D,≥98% , CAS No.63403-57-6

CAS: 63403-57-6 Cat. No.: D472033 분자식: Cl₂CDCOOD 분자량: 130.95 EC 번호: 685-797-9

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

DTXSID80583846 | Dichloroacetic acid-d2 | Acetic-dacid-d,dichloro-(9ci) | SCHEMBL1332060 | dichloro(?H)ethan(?H)oic acid | Dichloroacetic acid-d2, 98 atom % D | Dichloro(~2~H_2_)acetic acid | deuterio 2,2-dichloro-2-deuterioacetate | D99682

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

DTXSID80583846 | Dichloroacetic acid-d2 | Acetic-dacid-d,dichloro-(9ci) | SCHEMBL1332060 | dichloro(?H)ethan(?H)oic acid | Dichloroacetic acid-d2, 98 atom % D | Dichloro(~2~H_2_)acetic acid | deuterio 2,2-dichloro-2-deuterioacetate | D99682

사양 및 순도

≥98 atom% D,≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98 atom% D,≥98%

이름과 식별자

Pubchem Sid

508812170

정식 스마일

C(C(=O)O)(Cl)Cl

IUPAC Name

deuterio 2,2-dichloro-2-deuterioacetate

InChIKey

JXTHNDFMNIQAHM-PFUFQJKNSA-N

INCHI

1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/i1D/hD

이성체 SMILES

[2H]C(C(=O)O[2H])(Cl)Cl

분자량

130.95

Reaxy-Rn

1098596

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098596&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
• 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

• 용해성: Methanol (Sparingly)
• 감도: Air and moisture sensitive
• 굴절률: n20/D 1.4663 (lit.)
• 끓는점(°C): 194 °C (lit.)
• 녹는점(°C): 9-11 °C (lit.)
• 분자량: 130.949 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 129.956 Da
• Monoisotopic Mass: 129.956 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 60.600
• Isotope Atom Count: 2
• 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