1-Bromohexane - ≥99% , CAS No.111-25-1

CAS: 111-25-1 Cat. No.: B105244 Fórmula: C₆H₁₃Br Peso molecular: 165.07 Beilstein Registry Number: 1731290 Número EC: 203-850-2

GRADE & PURITY ≥99%

Synonyms

NSC 71206 | AKOS000118767 | DTXCID101929 | AI3-28588 | Q3292844 | 1-hexylbromide | 6-bromohexane | WVA0FAX7GA | A802329 | FT-0607533 | SCHEMBL33363 | STL163558 | Tox21_202719 | F0001-0236 | MFCD00000271 | BP-31175 | n-Hexyl bromide | 1-BroMohexane--d4 | U

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Application

Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Specifications

Sinónimos

NSC 71206 | AKOS000118767 | DTXCID101929 | AI3-28588 | Q3292844 | 1-hexylbromide | 6-bromohexane | WVA0FAX7GA | A802329 | FT-0607533 | SCHEMBL33363 | STL163558 | Tox21_202719 | F0001-0236 | MFCD00000271 | BP-31175 | n-Hexyl bromide | 1-BroMohexane--d4 | U

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

FedEx DG Service

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

488180693

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180693

Sonrisas canónicas

CCCCCCBr

IUPAC Name

1-bromohexane

InChIKey

MNDIARAMWBIKFW-UHFFFAOYSA-N

INCHI

1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3

Isómeros SMILES

CCCCCCBr

WGK Alemania

2

RTECS

MO0925000

Número ONU

1993

Grupo de embalaje

III

Peso molecular

165.07

Beilstein

1731290

Reaxy-Rn

1731290

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731290&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, soluble in ether, alcohol, acetone, chloroform
• Sensibilidad: Light & Air sensitive.
• Índice de refracción: 1.448
• Punto de inflamación (°F): 134.6 °F
• Punto de inflamación (°C): 57 °C
• Punto de ebullición (°C): 154-156°C
• Punto de fusión (°C): -85°C
• Peso molecular: 165.070 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 164.02 Da
• Monoisotopic Mass: 164.02 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 27.400
• 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