n-Butyl bromide - ≥99%(GC) , CAS No.109-65-9

CAS: 109-65-9 Cat. No.: B105252 Formule: C₄H₉Br Poids moléculaire: 137.02 Beilstein Registry Number: 1098260 Numéro CE: 203-691-9

GRADE & PURITY ≥99%(GC)

Synonyms

AI3-15308 | 1-Butyl bromide | BBU | A802070 | JC10149 | SCHEMBL8141 | 4-bromobutane | 4-bromo-butane | FT-0663658 | n-butyl-bromide | 1-BROMOBUTANE;1-BUTYL BROMIDE;BROMOBUTANE;BUTYL BROMIDE;N-BUTYL BROMIDE | EN300-19285 | N-BUTYL BROMIDE [HSDB] | 1-Bromob

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Vue d’ensemble

1-Bromobutane, an alkyl halide, is an alkylating agent. Its rotational constants, nuclear quadrupole constants and centrifugal distortion constants have been stated based on microwave spectral data. The rate coefficient for the reaction of 1-bromobutane with hydrogen atoms has been reported to be 2.4±1.2x1010cm3mol-1s-1.

Specifications

Synonymes

AI3-15308 | 1-Butyl bromide | BBU | A802070 | JC10149 | SCHEMBL8141 | 4-bromobutane | 4-bromo-butane | FT-0663658 | n-butyl-bromide | 1-BROMOBUTANE;1-BUTYL BROMIDE;BROMOBUTANE;BUTYL BROMIDE;N-BUTYL BROMIDE | EN300-19285 | N-BUTYL BROMIDE [HSDB] | 1-Bromob

Spécifications et pureté

≥99%(GC)

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

FedEx DG Service

Pureté

≥99%(GC)

Noms et identifiants

• Pubchem Sid: 504751539
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751539
• Sourires canoniques: CCCCBr
• IUPAC Name: 1-bromobutane
• InChIKey: MPPPKRYCTPRNTB-UHFFFAOYSA-N
• INCHI: 1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3
• Isomères SMILES: CCCCBr
• WGK Allemagne: 2
• RTECS: EJ6225000
• Numéro ONU: 1126
• Groupe d'emballage: II
• Poids moléculaire: 137.02
• Beilstein: 1098260
• 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
    • 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Miscible with ethanol and diethyl ether. Immiscible with water.
• Sensibilité: Light sensitive.
• Indice de réfraction: 1.4398
• Point d'éclair (°F): 50.0 °F
• Point d'éclair (°C): 10℃
• Point d'ébullition (°C): 101.6°C
• Point de fusion (°C): -112.4°C
• Poids moléculaire: 137.020 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 135.989 Da
• Monoisotopic Mass: 135.989 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 13.100
• Isotope Atom Count: 0
• 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