1-Bromo-2-methylbutane - ≥95%, mixture of enantiomers, predominantly (S) , CAS No.534-00-9

CAS: 534-00-9 Cat. No.: B120302 Peso molecular: 151.04 Beilstein Registry Number: 1718815 Número EC: 208-583-5

GRADE & PURITY ≥95%, mixture of enantiomers, predominantly (S)

Synonyms

(S)-1-Bromo-2-methylbutane | (s)-1-bromo-2-methyl-butane | AT35404 | (S)-(+)-1-Bromo-2-methylbutane, 99% | MFCD00078662 | AS-13080 | (+)-(S)-1-Bromo-2-methylbutane | EC 214-277-2 | HSDB 6073 | (2S)-1-BROMO-2-METHYLBUTANE [MI] | 4-02-00-00205 (Beilstein Ha

Storage

Room temperature

Shipped In

Normal

Descripción general

For the synthesis of chiral nematic liquid crystals and optically active Grignard reagents.

Specifications

Sinónimos

(S)-1-Bromo-2-methylbutane | (s)-1-bromo-2-methyl-butane | AT35404 | (S)-(+)-1-Bromo-2-methylbutane, 99% | MFCD00078662 | AS-13080 | (+)-(S)-1-Bromo-2-methylbutane | EC 214-277-2 | HSDB 6073 | (2S)-1-BROMO-2-METHYLBUTANE [MI] | 4-02-00-00205 (Beilstein Ha

Especificaciones y pureza

≥95%, mixture of enantiomers, predominantly (S)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504763846
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763846
• Sonrisas canónicas: CCC(C)CBr
• IUPAC Name: (2S)-1-bromo-2-methylbutane
• InChIKey: XKVLZBNEPALHIO-YFKPBYRVSA-N
• INCHI: 1S/C5H11Br/c1-3-5(2)4-6/h5H,3-4H2,1-2H3/t5-/m0/s1
• Isómeros SMILES: CC[C@H](C)CBr
• WGK Alemania: 3
• Peso molecular: 151.04
• Beilstein: 1718815
• Reaxy-Rn: 1718814
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718814&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.445
• Punto de inflamación (°F): 71.6 °F
• Punto de inflamación (°C): 22°C(79°F)
• Punto de ebullición (°C): 121-122°C
• Peso molecular: 151.040 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 150.004 Da
• Monoisotopic Mass: 150.004 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 27.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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