Acenaphthene - analytical standard, ≥99.5%(GC) , CAS No.83-32-9

CAS: 83-32-9 Cat. No.: A105205 Molecular Weight: 154.21 Beilstein Registry Number: 386081 EC Number: 201-469-6

GRADE & PURITY Analytical standard, ≥99.5%(GC)

Synonyms

MFCD00003807 | NSC7657 | NSC-7657 | Q415103 | Acenaphthene Zone Refined (number of passes:30) | D97698 | NCGC00254079-01 | 1,8-Ethylenenaphthalene | A0135 | ACENAPHTHENE, | DTXCID201774 | NCGC00259949-01 | Z56926550 | F1908-0103 | InChI=1/C12H10/c1-3-9-4-

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

MFCD00003807 | NSC7657 | NSC-7657 | Q415103 | Acenaphthene Zone Refined (number of passes:30) | D97698 | NCGC00254079-01 | 1, 8-Ethylenenaphthalene | A0135 | ACENAPHTHENE, | DTXCID201774 | NCGC00259949-01 | Z56926550 | F1908-0103 | InChI=1/C12H10/c1-3-9-4-

Specifications & Purity

analytical standard, ≥99.5%(GC)

Storage

Room temperature

Shipped In

FedEx DG Service

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

Grade

Analytical standard

Purity

≥99.5%(GC)

Names and Identifiers

• Canonical Smiles: C1CC2=CC=CC3=C2C1=CC=C3
• IUPAC Name: 1,2-dihydroacenaphthylene
• InChIKey: CWRYPZZKDGJXCA-UHFFFAOYSA-N
• INCHI: 1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2
• Isomeric SMILES: C1CC2=CC=CC3=C2C1=CC=C3
• WGK Germany: 3
• UN Number: 3082
• Packing Group: III
• Molecular Weight: 154.21
• Beilstein: 386081
• Reaxy-Rn: 386081
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386081&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: acenaphthenes

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

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

Discover Target: NFKB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°C): 135°C
• Boil Point(°C): 279°C
• Melt Point(°C): 90-95°C
• Molecular Weight: 154.210 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 154.078 Da
• Monoisotopic Mass: 154.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 155.000
• 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

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