CAS 208-96-8 Acenaphthylene - Materials / Alfa Chemistry

NAVIGATION

Acenaphthylene

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Catalog Number

ACM208968-1

CAS Number

208-96-8

Product Name

Acenaphthylene

Structure

Category

Carbon Nanomaterials; Monomers

Synonyms

Cyclopenta[de]naphthalene

IUPAC Name

acenaphthylene

Molecular Weight

152.19

Molecular Formula

C12H8

Canonical SMILES

C1=CC2=C3C(=C1)C=CC3=CC=C2;

InChI

HXGDTGSAIMULJN-UHFFFAOYSA-N

InChI Key

InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H

Boiling Point

280 °C(lit.)

Melting Point

78-82 °C(lit.)

Flash Point

122°C

Purity

99%

Density

0.899 g/cm3 at 25 °C(lit.)

Solubility

Insoluble (NTP, 1992);1.06e-04 M;In water, 3.93 mg/L at 25 deg C;In water, 9 mg/L at 25 deg C (OECD Guideline 105);Very soluble in ethanol, ether, benzene; slightly soluble in chloroform;

Appearance

Solid

Application

Polycyclic aromatic hydrocarbons as carcinogenic

Storage

APPROX 4°C

Color/Form

Yellow needles;Colorless crystalline solid;Prisms from ether and plates from alcohol;

Complexity

184

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

EC Number

205-917-1

Exact Mass

152.0626

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC3=CC=C2

Isotope Atom Count

Monoisotopic Mass

152.0626

NSC Number

59821

Other Experimental

Enthalpy of sublimation, 17.0 kcal/mol at 298 K;Henry's Law constant = 1.25X10-4 atm-cu m/mol at 25 deg C;Hydroxyl radical reaction rate constant = 1.09X10-10 cu cm/molec-sec at 25 deg C;Gas-phase ozone reaction rate constant = 3.99-16 cu cm/molec-sec at 25 deg C;Nitrate radical reaction rate constant = 4.42X10-12 cu cm/molec-sec at 25 deg C;

Rotatable Bond Count

Stability

Stable under recommended storage conditions.;

Topological Polar Surface Area

0 Å²

UNII

1Z25C36811

UN Number

3077

Vapor Pressure

0.01 mmHg;0.0048 mm Hg at 25 deg C;

MSDS