2-Bromoheptane - technical grade , CAS No.1974-04-5

CAS: 1974-04-5 Cat. No.: B476810 Formula: CH₃CH₂CH₂CH₂CH₂CHBrCH₃ Peso molecolare: 179.1 Beilstein Registry Number: 1731556 Numero EC: 217-824-3

GRADE & PURITY Technical grade

Synonyms

2-Heptyl bromide | (1-methyl)hexylbromide | 2-BROMOHEPTANE | (1-methyl) hexylbromide | NSC11768 | NSC-11768 | Heptane, 2-bromo- | 1-Methylhexyl bromide | 2-bromanylheptane | 6-bromoheptane | A813910 | DTXSID40870921 | AKOS009157870 | EINECS 217-824-3 | J-

Storage

Room temperature

Panoramica

Description

2-Bromoheptane has been used in the preparation of:racemic alcohol, 2-methylheptanolglutathione (GSH) derivativesGSH analog that contains tetrazole isostere (Tet-sHep)

Specifications

Sinonimi

2-Heptyl bromide | (1-methyl)hexylbromide | 2-BROMOHEPTANE | (1-methyl) hexylbromide | NSC11768 | NSC-11768 | Heptane, 2-bromo- | 1-Methylhexyl bromide | 2-bromanylheptane | 6-bromoheptane | A813910 | DTXSID40870921 | AKOS009157870 | EINECS 217-824-3 | J-

Specifiche e purezza

technical grade

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Grado tecnico

Nomi e identificatori

• Sorrisi canonici: CCCCCC(C)Br
• IUPAC Name: 2-bromoheptane
• InChIKey: HLAUCEOFCOXKNF-UHFFFAOYSA-N
• INCHI: 1S/C7H15Br/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3
• Isomeri SMILES: CCCCCC(C)Br
• Numero UN: 1993C
• Peso molecolare: 179.1
• Beilstein: 1731556
• Reaxy-Rn: 1731556
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731556&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: n20/D 1.447 (lit.)
• Punto di infiammabilità (°F): 129.2 °F - closed cup
• Punto di infiammabilità (°C): 54 °C - closed cup
• Punto di ebollizione (°C): 64-66℃/21mmHg (lit.)
• Peso molecolare: 179.100 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 178.036 Da
• Monoisotopic Mass: 178.036 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 43.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1