Naphthalene-d8 - analytical standard , CAS No.1146-65-2

CAS: 1146-65-2 Cat. No.: N114091 Molecular Weight: 136.22 EC Number: 214-552-7

GRADE & PURITY Analytical standard

Synonyms

Octadeutronaphthalene | J-003121 | AKOS015903735 | Perdeuterated naphthalene | UFWIBTONFRDIAS-PGRXLJNUSA-N | D98914 | Naphthalene-d8 | Naphthalene D8 | Naphthalene-1,2,3,4,5,6,7,8-d8 | Naphthalene-d8, 99 atom % D, >=98% (CP) | [2H8]Naphthalene | DTXSID108

Storage

Protected from light,Room temperature,Argon charged,Cool

Shipped In

Normal

Specifications

Synonyms

Octadeutronaphthalene | J-003121 | AKOS015903735 | Perdeuterated naphthalene | UFWIBTONFRDIAS-PGRXLJNUSA-N | D98914 | Naphthalene-d8 | Naphthalene D8 | Naphthalene-1, 2, 3, 4, 5, 6, 7, 8-d8 | Naphthalene-d8, 99 atom % D, >=98% (CP) | [2H8]Naphthalene | DTXSID108

Specifications & Purity

analytical standard

Storage

Protected from light, Room temperature, Argon charged, Cool

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: C1=CC=C2C=CC=CC2=C1
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterionaphthalene
• InChIKey: UFWIBTONFRDIAS-PGRXLJNUSA-N
• INCHI: 1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
• Isomeric SMILES: [2H]C1=C(C(=C2C(=C(C(=C(C2=C1[2H])[2H])[2H])[2H])[2H])[2H])[2H]
• Alternate CAS: 91-20-3(Unlabeled)
• UN Number: 1334
• Packing Group: III
• Molecular Weight: 136.22
• Reaxy-Rn: 1421310
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1421310&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

• Sensitivity: Moisture sensitive；Light sensitive
• Flash Point(°C): 78℃
• Boil Point(°C): 218℃
• Melt Point(°C): 81-83℃
• Molecular Weight: 136.220 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 136.113 Da
• Monoisotopic Mass: 136.113 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 80.600
• Isotope Atom Count: 8
• 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

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2. Li Zhansheng, Zhao Hongxia, Li Xintong, Bekele Tadiyose Girma.  (2021)  Characteristics and sources of environmentally persistent free radicals in PM2.5 in Dalian, Northeast China: correlation with polycyclic aromatic hydrocarbons.  ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH,  29  (17): (24612-24622).  [PMID:34822091] [10.1007/s11356-021-17688-9]

3. Shu Zhu, Shangying Qin, Chonghui Wei, Li Cen, Luyun Xiong, Xingyu Luo, Yilin Wang.  (2024)  Acetylcholine triggered enzymatic cascade reaction based on Fe7S8 nanoflakes catalysis for organophosphorus pesticides visual detection.  ANALYTICA CHIMICA ACTA,      [PMID:38553122] [10.1016/j.aca.2024.342464]

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