1-Bromo-2-metilbutano - ≥95%, miscela di enantiomeri, prevalentemente (S) , CAS No.534-00-9

CAS: 534-00-9 Cat. No.: B120302 Formula: C₅H_11Br Peso molecolare: 151.04 Beilstein Registry Number: 1718815 Numero EC: 208-583-5

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

Synonyms

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

Storage

Room temperature

Shipped In

Normale

Panoramica

Per la sintesi di cristalli liquidi nematici chirali e reagenti di Grignard otticamente attivi.

Specifications

Sinonimi

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

Specifiche e purezza

≥95%, miscela di enantiomeri, prevalentemente (S)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

504763846

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763846

Sorrisi canonici

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

Isomeri SMILES

CC[C@H](C)CBr

WGK Germania

3

Peso molecolare

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
    • Classe Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.445
• Punto di infiammabilità (°F): 71.6 °F
• Punto di infiammabilità (°C): 22°C(79°F)
• Punto di ebollizione (°C): 121-122°C
• Peso molecolare: 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