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

CAS: 29576-14-5 Cat. No.: C477019 Formule: CH₃CH=CHCH₂Br Poids moléculaire: 135 Numéro 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

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

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Qualité technique

Pureté

≥85%

Noms et identifiants

• Sourires canoniques: 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+
• Isomères SMILES: C/C=C/CBr
• WGK Allemagne: 3
• CAS alternatif: 4784-77-4
• Numéro ONU: 1993
• Groupe d'emballage: II
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Point d'éclair (°F): 51.8 °F
• Point d'éclair (°C): 11 °C
• Point d'ébullition (°C): 97-99° C
• Poids moléculaire: 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