Benzyl bromide-d₇ - ≥98 atom% D,≥98% , CAS No.35656-93-0

CAS: 35656-93-0 Cat. No.: B471999 분자식: C₆D₅CD₂Br 분자량: 178.08 EC 번호: 663-890-5

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

Benzyl bromide-d7 | 1-[bromo(dideuterio)methyl]-2,3,4,5,6-pentadeuteriobenzene | Benzyl bromide-d7, 98 atom % D | D97923 | DTXSID90480953 | SCHEMBL1331710 | Benzyl-D7 Bromide

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

동의어

Benzyl bromide-d7 | 1-[bromo(dideuterio)methyl]-2,3,4,5,6-pentadeuteriobenzene | Benzyl bromide-d7, 98 atom % D | D97923 | DTXSID90480953 | SCHEMBL1331710 | Benzyl-D7 Bromide

사양 및 순도

≥98 atom% D,≥98%

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

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순수함

≥98 atom% D,≥98%

이름과 식별자

Pubchem Sid

508816342

정식 스마일

C1=CC=C(C=C1)CBr

IUPAC Name

1-[bromo(dideuterio)methyl]-2,3,4,5,6-pentadeuteriobenzene

InChIKey

AGEZXYOZHKGVCM-XZJKGWKKSA-N

INCHI

1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2/i1D,2D,3D,4D,5D,6D2

이성체 SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])Br)[2H])[2H]

UN 번호

1737

분자량

178.08

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
    • 분류 Benzene and substituted derivatives
      • Subclass Benzyl halides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Light sensitive；Moisture sensitive
• 굴절률: n20/D 1.574 (lit.)
• 발화점(°F): 188.6 °F - closed cup
• 발화점(°C): 87 °C - closed cup
• 끓는점(°C): 198-199℃ (lit.)
• 녹는점(°C): −3-−1℃ (lit.)
• 분자량: 178.080 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 177.017 Da
• Monoisotopic Mass: 177.017 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 55.400
• Isotope Atom Count: 7
• 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