1-Bromoheptane - ≥98% , CAS No.629-04-9

CAS: 629-04-9 Cat. No.: B109258 Fórmula: C₇H₁₅Br Peso molecular: 179.1 Beilstein Registry Number: 1697160 Número CE: 211-068-8

GRAU & PUREZA ≥98%

Synonyms

A834079 | B0598 | J-504464 | 1219805-66-9 | STL282743 | bromoheptane | bromo-heptane | bromomethylhexane | Heptyl bromide | NSC 7315 | n-heptylbromide | EINECS 211-068-8 | 1-Bromo heptane | 1-Bromoheptane, 99% | MFCD00000273 | 1219802-55-7 | 1 -bromohepta

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

A834079 | B0598 | J-504464 | 1219805-66-9 | STL282743 | bromoheptane | bromo-heptane | bromomethylhexane | Heptyl bromide | NSC 7315 | n-heptylbromide | EINECS 211-068-8 | 1-Bromo heptane | 1-Bromoheptane, 99% | MFCD00000273 | 1219802-55-7 | 1 -bromohepta

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504752315

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752315

Sorrisos canónicos

CCCCCCCBr

IUPAC Name

1-bromoheptane

InChIKey

LSXKDWGTSHCFPP-UHFFFAOYSA-N

INCHI

1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3

SMILES isoméricas

CCCCCCCBr

WGK Alemanha

3

RTECS

MI8100000

Número UN

1993

Peso molecular

179.1

Beilstein

1697160

Reaxy-Rn

1697160

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697160&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

• Solubilidade: Insoluble in water; Soluble in Ether,Alcohol
• Índice de refração: 1.4499
• Ponto de inflamação (°F): 140 °F
• Ponto de inflamação (°C): 60℃
• Ponto de ebulição (°C): 180 °C
• Ponto de fusão (°C): -58°C
• Peso molecular: 179.100 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• 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: 35.400
• 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