1,3-Dibromopropane-d6 - ≥98%(CP),≥98 atom% D , CAS No.120404-22-0

CAS: 120404-22-0 Cat. No.: D757374 분자식: C₃D₆Br₂ 분자량: 207.92 EC 번호: 694-662-3

GRADE & PURITY ≥98%(CP),≥98 atom% D

Synonyms

1,3-dibromopropane-1,1,2,2,3,3-d6 | 1,3-Bis(bromo)propane-d6 | Trimethylene-d6 Bromide | Trimethylene-d6 Dibromide | alpha,gamma-Dibromopropane-d6 | NSC 62663-d6

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

1,3-dibromopropane-1,1,2,2,3,3-d6 | 1,3-Bis(bromo)propane-d6 | Trimethylene-d6 Bromide | Trimethylene-d6 Dibromide | alpha,gamma-Dibromopropane-d6 | NSC 62663-d6

사양 및 순도

≥98%(CP),≥98 atom% D

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%(CP),≥98 atom% D

이름과 식별자

Pubchem Sid

528753747

정식 스마일

C(CBr)CBr

IUPAC Name

1,3-dibromo-1,1,2,2,3,3-hexadeuteriopropane

InChIKey

VEFLKXRACNJHOV-NMFSSPJFSA-N

INCHI

1S/C3H6Br2/c4-2-1-3-5/h1-3H2/i1D2,2D2,3D2

이성체 SMILES

[2H]C([2H])(C([2H])([2H])Br)C([2H])([2H])Br

대체 CAS

109-64-8（unlabelled）

UN 번호

1993

포장 그룹

III

분자량

207.92

Reaxy-Rn

635662

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635662&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 분류 Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: Organobromides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organobromides
• Alternative Parents: Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine 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

• 끓는점(°C): 167 °C (lit.)
• 녹는점(°C): -34 °C (lit.)
• 분자량: 207.920 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 207.919 Da
• Monoisotopic Mass: 205.921 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 12.400
• Isotope Atom Count: 6
• 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