Crotyl bromide - technical grade, ≥85%, mixture of cis &trans , CAS No.29576-14-5

CAS: 29576-14-5 Cat. No.: C477019 Fórmula: CH₃CH=CHCH₂Br Peso molecular: 135 Número CE: 629-607-4

GRADE & PURITY Technical grade, ≥85%, mixture of cis &trans

Synonyms

SCHEMBL78548 | Q20054510 | Crotyl bromide | trans-1-Bromo-2-butene, 80% remainder 3-Bromo-1-butene | AKOS025149600 | Crotyl bromide, technical grade, 85% | (E)-2-butenyl bromide | 1-Crotyl bromide | Crotyl bromidetech.85 | 2-Butene, 1-bromo-, (2E)- | AKOS

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

Description

Crotyl bromide is a general organic reagent that can be used in the total synthesis of biologically important natural products and their derivatives such as (+)-artemisinin, plakortone E and (−)-horsfiline.It can also be used to prepare analogs of deoxycyclitols, pentopyranoses, 6-deoxyhexoses, hexoses and pseudo-indoxyl derivatives.

Specifications

Sinónimos

SCHEMBL78548 | Q20054510 | Crotyl bromide | trans-1-Bromo-2-butene, 80% remainder 3-Bromo-1-butene | AKOS025149600 | Crotyl bromide, technical grade, 85% | (E)-2-butenyl bromide | 1-Crotyl bromide | Crotyl bromidetech.85 | 2-Butene, 1-bromo-, (2E)- | AKOS

Especificações e pureza

technical grade, ≥85%, mixture of cis &trans

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Grau técnico

Pureza

≥85%

Nomes e identificadores

• Sorrisos canónicos: CC=CCBr
• IUPAC Name: (E)-1-bromobut-2-ene
• InChIKey: AVMHMVJVHYGDOO-NSCUHMNNSA-N
• INCHI: 1S/C4H7Br/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+
• SMILES isoméricas: C/C=C/CBr
• WGK Alemanha: 3
• CAS alternativo: 4784-77-4
• Número UN: 1993
• Grupo de embalagem: II
• Peso molecular: 135
• Reaxy-Rn: 1361394
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1361394&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
• Descrição: 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): 51.8 °F
• Ponto de inflamação (°C): 11 °C
• Ponto de ebulição (°C): 97-99° C
• Peso molecular: 135.000 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 133.973 Da
• Monoisotopic Mass: 133.973 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 30.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1