Benzyl bromide-α,α-d₂ - ≥98 atom% D,≥96% , CAS No.51271-29-5

CAS: 51271-29-5 Cat. No.: B472021 Summenformel: C₆H₅CD₂Br Molekulargewicht: 173.05 EG-Nummer: 664-061-0

GRADE & PURITY ≥98 atom% D,≥96%

Synonyms

SCHEMBL541828 | [Bromo(~2~H_2_)methyl]benzene | Benzyl bromide-,-d2 | benzyl-alpha,alpha-d2 bromide | [bromo(?H?)methyl]benzene | Benzyl bromide-alpha,alpha-d2 | D99472 | Benzyl bromide- alpha , alpha -d2 | [bromo(dideuterio)methyl]benzene | Benzyl bromid

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyme

SCHEMBL541828 | [Bromo(~2~H_2_)methyl]benzene | Benzyl bromide-,-d2 | benzyl-alpha,alpha-d2 bromide | [bromo(?H?)methyl]benzene | Benzyl bromide-alpha,alpha-d2 | D99472 | Benzyl bromide- alpha , alpha -d2 | [bromo(dideuterio)methyl]benzene | Benzyl bromid

Spezifikationen & Reinheit

≥98 atom% D,≥96%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98 atom% D,≥96%

Namen und Kennungen

• Pubchem Sid: 504766988
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766988
• Kanonisches Lächeln: C1=CC=C(C=C1)CBr
• IUPAC Name: [bromo(dideuterio)methyl]benzene
• InChIKey: AGEZXYOZHKGVCM-NCYHJHSESA-N
• INCHI: 1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2/i6D2
• Isomere SMILES: [2H]C([2H])(C1=CC=CC=C1)Br
• UN-Nummer: 1737
• Molekulargewicht: 173.05
• Reaxy-Rn: 385801
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385801&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzyl halides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl bromides
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl group.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive；Moisture sensitive
• Brechungsindex: n20/D 1.575 (lit.)
• Flammpunkt (°F): 186.8 °F - closed cup
• Flammpunkt (°C): 86 °C - closed cup
• Siedepunkt (°C): 198-199℃ (lit.)
• Schmelzpunkt (°C): −3-−1℃ (lit.)
• Molekulargewicht: 173.050 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 171.986 Da
• Monoisotopic Mass: 171.986 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 55.400
• 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