Acephenanthrylene supplier

Name
Acephenanthrylene
EINECS
CAS No. 201-06-9
Article Data11
CAS DataBase
Density 1.246 g/cm³
Solubility
Melting Point 140-141 °C
Formula C₁₆H₁₀
Boiling Point 405.7 °C at 760 mmHg
Molecular Weight 202.255
Flash Point 188.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,5-Benzoacenaphthylene;Benz[e]acenaphthylene;
PSA 0.00000
LogP 4.47680

Acephenanthrylene Specification

The Acephenanthrylene, with the CAS registry number 201-06-9, is also known as 4,5-Benzoacenaphthylene. This chemical's molecular formula is C₁₆H₁₀ and molecular weight is 202.078. Its IUPAC name is called acephenanthrylene. This chemical's classification code is Mutation data.

Physical properties of Acephenanthrylene: (1)ACD/LogP: 5.50; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.5; (4)ACD/LogD (pH 7.4): 5.5; (5)ACD/BCF (pH 5.5): 8848.88; (6)ACD/BCF (pH 7.4): 8848.88; (7)ACD/KOC (pH 5.5): 23268.73; (8)ACD/KOC (pH 7.4): 23268.73; (9)Index of Refraction: 1.795; (10)Molar Refractivity: 69.1 cm³; (11)Molar Volume: 162.3 cm³; (12)Surface Tension: 60.4 dyne/cm; (13)Density: 1.246 g/cm³; (14)Flash Point: 188.6 °C; (15)Enthalpy of Vaporization: 63.18 kJ/mol; (16)Boiling Point: 405.7 °C at 760 mmHg; (17)Vapour Pressure: 2.01E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 4,5,9,10-tetrahydroacephenanthrylene. This reaction will need reagent 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) and solvent benzene.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C3=C4C(=CC=C3)C=CC4=CC2=C1
(2)InChI: InChI=1S/C16H10/c1-2-6-14-12(4-1)10-13-9-8-11-5-3-7-15(14)16(11)13/h1-10H
(3)InChIKey: SQFPKRNUGBRTAR-UHFFFAOYSA-N

Product Name

Acephenanthrylene

Acephenanthrylene Specification

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