1-Bromobutane-d₉ - ≥98 atom% D,≥99% , CAS No.98195-36-9

CAS: 98195-36-9 Cat. No.: B472078 분자식: CD₃(CD₂)₂CD₂Br 분자량: 146.07 EC 번호: 106-317-1

GRADE & PURITY ≥98 atom% D,≥99%

Synonyms

1-Bromobutane-D9 | 1-bromo-1,1,2,2,3,3,4,4,4-nonadeuteriobutane | 1-bromo(?H?)butane | MFCD00142592 | DTXSID80481752 | 1-Bromobutane-d9, 98 atom % D | AKOS030255220 | SCHEMBL14169608 | D98936

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

동의어

1-Bromobutane-D9 | 1-bromo-1,1,2,2,3,3,4,4,4-nonadeuteriobutane | 1-bromo(?H?)butane | MFCD00142592 | DTXSID80481752 | 1-Bromobutane-d9, 98 atom % D | AKOS030255220 | SCHEMBL14169608 | D98936

사양 및 순도

≥98 atom% D,≥99%

보관 조건

Protected from light,Room temperature

배송

Normal

순수함

≥98 atom% D,≥99%

이름과 식별자

• Pubchem Sid: 488197974
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197974
• 정식 스마일: CCCCBr
• IUPAC Name: 1-bromo-1,1,2,2,3,3,4,4,4-nonadeuteriobutane
• InChIKey: MPPPKRYCTPRNTB-YNSOAAEFSA-N
• INCHI: 1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3/i1D3,2D2,3D2,4D2
• 이성체 SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br
• 분자량: 146.07
• Reaxy-Rn: 1098260
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098260&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

• 감도: Light sensitive；Moisture sensitive
• 끓는점(°C): 100-104 °C (lit.)
• 녹는점(°C): -112 °C (lit.)
• 분자량: 146.070 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 145.045 Da
• Monoisotopic Mass: 145.045 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 13.100
• Isotope Atom Count: 9
• 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