5-Norbornen-2-methanol (mixture of isomers) - ≥98%(GC) , CAS No.95-12-5

CAS: 95-12-5 Cat. No.: N159229 Molecular Weight: 124.18 EC Number: 202-392-0

GRADE & PURITY ≥98%(GC)

Synonyms

UNII-N43L8J2KTL | NSC403110 | NSC-403110 | J-802157 | 5-norbornen-2-methanol | Bicyclo[2.2.1]5-heptene-2-methanol | N0979 | SY015570 | 5-Norbornene-2-methanol, mixture of isomers | bicyclo-[2,2,1]-hept-5-en-2-yl-methyl alcohol | Cyclol | DS-18405 | Bicycl

Storage

Room temperature

Shipped In

Normal

Overview

Co-polymerization of 5-norbornene-2-methanol with ethylene using heterogeneous silica supported catalysts has been reported
5-Norbornene-2-methanol has been used in the preparation of: . 4-(norborn-2-ene-5-ylmethyleneoxy)-2,2′:6′,2′′-terpyridine . 5- {[(3,5-di-t-butyl-4-hydroxy-benzoyl)oxy]methyl}-2-norbornene (BHBN)

Specifications

Synonyms

UNII-N43L8J2KTL | NSC403110 | NSC-403110 | J-802157 | 5-norbornen-2-methanol | Bicyclo[2.2.1]5-heptene-2-methanol | N0979 | SY015570 | 5-Norbornene-2-methanol, mixture of isomers | bicyclo-[2, 2, 1]-hept-5-en-2-yl-methyl alcohol | Cyclol | DS-18405 | Bicycl

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504755330
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755330
• Canonical Smiles: C1C2CC(C1C=C2)CO
• IUPAC Name: 2-bicyclo[2.2.1]hept-5-enylmethanol
• InChIKey: LUMNWCHHXDUKFI-UHFFFAOYSA-N
• INCHI: 1S/C8H12O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2
• Isomeric SMILES: C1C2CC(C1C=C2)CO
• Molecular Weight: 124.18
• Reaxy-Rn: 9999461
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9999461&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: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic homopolycyclic 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

• Refractive Index: 1.5
• Flash Point(°F): 87°C(lit.)
• Flash Point(°C): 87°C(lit.)
• Boil Point(°C): 97°C
• Molecular Weight: 124.180 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 124.089 Da
• Monoisotopic Mass: 124.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 140.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• 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. Erqiang Du, Mengke Li, Binbin Xu, Yingxin Zhang, Zibiao Li, Xiaohui Yu, Xiaoshan Fan.  (2024)  Self-Healing and Adhesive Supersoft Materials Derived from Dynamically Cross-Linked Bottlebrush Polymers for Flexible Sensors.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.3c02006]