Acenaphthene - ≥98% , CAS No.83-32-9

CAS: 83-32-9 Cat. No.: A105207 Formula: C₁₂H₁₀ Molecular Weight: 154.21 Beilstein Registry Number: 386081 EC Number: 201-469-6

GRADE & PURITY ≥98%

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

≥98%

Storage

Room temperature

Shipped In

FedEx DG Service

Purity

≥98%

Names and Identifiers

Pubchem Sid

504751160

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751160

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

• Solubility: Soluble in chloroform, benzene, tolune, glacial acetic acid and methanol. Insoluble in water.
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 83-32-9, the molecular formula is C12H10, and the molecular weight is 154.21 g/mol. InChIKey CWRYPZZKDGJXCA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.