7-Bromo-1-heptanol - ≥96% , CAS No.10160-24-4

CAS: 10160-24-4 Cat. No.: B132089 Molecular Weight: 195.10 EC Number: 628-171-2

GRADE & PURITY ≥96%

Synonyms

MFCD00041708 | STL556725 | BBL102916 | DS-1069 | DTXSID4064979 | FT-0649362 | BP-31114 | AKOS015856498 | Methyl4-amino-5-bromo-2-methoxybenzenecarboxylate | SCHEMBL347253 | 7-Bromoheptan-1-ol | 1-Heptanol, 7-bromo- | 7-Bromo-1-heptanol, 95% | 7-Bromo-1-he

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

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

Overview

It was used in the synthesis of (9Z,12E)-[1-13C]-octadeca-9,12-dienoic acid and(9Z,12Z,15E)-[1-13C]-octadeca-9,12,15-trienoic acid.

Application

7-Bromo-1-heptanol was used in the synthesis of (9Z,12E)-[1-13C]-octadeca-9,12-dienoic acid and(9Z,12Z,15E)-[1-13C]-octadeca-9,12,15-trienoic acid. It can be used to prepare N-substituted [(carboxymethyl)phenoxy]ethyl benzoxazinones as PPARγ agonists and antidiabetic (type 2) agents. It can also be used to prepare thiochroman and chroman derivatives as pure antiestrogens.

Specifications

Synonyms

MFCD00041708 | STL556725 | BBL102916 | DS-1069 | DTXSID4064979 | FT-0649362 | BP-31114 | AKOS015856498 | Methyl4-amino-5-bromo-2-methoxybenzenecarboxylate | SCHEMBL347253 | 7-Bromoheptan-1-ol | 1-Heptanol, 7-bromo- | 7-Bromo-1-heptanol, 95% | 7-Bromo-1-he

Specifications & Purity

≥96%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504754055
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754055
• Canonical Smiles: C(CCCO)CCCBr
• IUPAC Name: 7-bromoheptan-1-ol
• InChIKey: MMXRRNUXCHUHOE-UHFFFAOYSA-N
• INCHI: 1S/C7H15BrO/c8-6-4-2-1-3-5-7-9/h9H,1-7H2
• Isomeric SMILES: C(CCCO)CCCBr
• WGK Germany: 3
• Molecular Weight: 195.10
• Reaxy-Rn: 1361406
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1361406&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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: Slightly soluble in water.
• Sensitivity: Heat & Air-sensitive
• Refractive Index: 1.48
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 111-112 °C/4 mmHg
• Molecular Weight: 195.100 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 194.031 Da
• Monoisotopic Mass: 194.031 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 48.200
• 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

References

1. Lijuan Zhao, Faqiong Zhao, Baizhao Zeng.  (2014)  Synthesis of water-compatible surface-imprinted polymer via click chemistry and RAFT precipitation polymerization for highly selective and sensitive electrochemical assay of fenitrothion.  BIOSENSORS & BIOELECTRONICS,      [PMID:24973538] [10.1016/j.bios.2014.06.022]

2. Ze Su, Xiaolong Li, Youye Wang, Long Liu, Yanqiang Zhang, Jianguo Zhang, Zhimin Li.  (2026)  Nitrate ester functionalized ionic liquid as energetic plasticizer for HTPB propellant.  Defence Technology,      [PMID:] [10.1016/j.dt.2026.02.013]