1-Bromohexadecane - ≥97% , CAS No.112-82-3

CAS: 112-82-3 Cat. No.: B108899 Formula: C₁₆H₃₃Br Molecular Weight: 305.34 Beilstein Registry Number: 773989 EC Number: 204-008-7

GRADE & PURITY ≥97%

Synonyms

Hexadecane, bromo- | bromohexadecane | CAS-112-82-3 | FT-0607531 | Hexadecane, 1-bromo- | 1-BroMohexadecane--d4 | SCHEMBL33335 | Cetyl bromide | Tox21_202722 | EN300-83275 | Cetyl bromide, Hexadecyl bromide | DTXSID2049397 | EINECS 204-008-7 | J-504465 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

1-Bromohexadecane has been used: ·in the preparation of soluble carbon nano-onions by covalent functionalization with hexadecyl chains ·as extraction solvent in determination of endocrine-disrupting phenols (EDPs) in water samples by ultrasound-assisted emulsification microextraction (MS-USAEME) method ·in the preparation of [2-(methacryloyloxy)ethyl]dimethylhexadecylammonium bromide monomer, required for the synthesis of novel methacrylate based adsorbents ·in the synthesis of surfactant, N-hexadecyl ethylenediamine triacetic acid (HED3A)

Specifications

Synonyms

Hexadecane, bromo- | bromohexadecane | CAS-112-82-3 | FT-0607531 | Hexadecane, 1-bromo- | 1-BroMohexadecane--d4 | SCHEMBL33335 | Cetyl bromide | Tox21_202722 | EN300-83275 | Cetyl bromide, Hexadecyl bromide | DTXSID2049397 | EINECS 204-008-7 | J-504465 |

Specifications & Purity

≥97%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

Pubchem Sid

508814532

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508814532

Canonical Smiles

CCCCCCCCCCCCCCCCBr

IUPAC Name

1-bromohexadecane

InChIKey

HNTGIJLWHDPAFN-UHFFFAOYSA-N

INCHI

1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3

Isomeric SMILES

CCCCCCCCCCCCCCCCBr

WGK Germany

3

Molecular Weight

305.34

Beilstein

773989

Reaxy-Rn

773989

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773989&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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

Chemical and Physical Properties

• Solubility: Difficult to mix.
• Sensitivity: Air sensitive
• Freezing Point(°C): 16 °C
• Refractive Index: 1.461
• Flash Point(°F): 357℉
• Flash Point(°C): 181°C
• Boil Point(°C): 190 °C/11 mmHg
• Melt Point(°C): 16-18°C
• Molecular Weight: 305.340 g/mol
• XLogP3: 9.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 14
• Exact Mass: 304.177 Da
• Monoisotopic Mass: 304.177 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 123.000
• 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