CAS 83-32-9 Acenaphthene - Materials / Alfa Chemistry

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Acenaphthene

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Catalog Number

ACM83329-1

Product Name

Acenaphthene

Structure

CAS

83-32-9

Category

Other Electronic Materials

Synonyms

1,2-Dihydroacenaphthylene

Description

Acenaphthene appears as white needles. Melting point 93.6°C. Soluble in hot alcohol. Denser than water and insoluble in water. Hence sinks in water. May irritate skin and mucous membranes. Emits acrid smoke and irritating fumes when heated to decomposition. Derived from coal tar and used to make dyes, pharmaceuticals, insecticides, fungicides, and plastics.;WHITE-TO-BEIGE CRYSTALS.

IUPAC Name

1,2-dihydroacenaphthylene

Molecular Weight

154.21

Molecular Formula

C12H10

Canonical SMILES

C1CC2=CC=CC3=C2C1=CC=C3

InChI

InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2

InChI Key

CWRYPZZKDGJXCA-UHFFFAOYSA-N

Boiling Point

534 °F at 760 mm Hg (NTP, 1992);279.0 °C;277.5 °C;279 °C

Melting Point

203 °F (NTP, 1992);93.4 °C;93 °C;95 °C

Flash Point

125.0 °C (257.0 °F) - closed cup;135 °C o.c.

Density

1.024 at 210 °F (NTP, 1992);1.222 g/cu cm at 20 °C;1.2 g/cm³

Solubility

less than 1 mg/mL at 68° F (NTP, 1992);2.53e-05 M;In water, 3.90 mg/L at 25 °C;In water, 3.57-3.93 mg/L at 22.2 to 25.04 °C (range of 7 values);1 gram dissolves in 31 mL alcohol, 56 mL methanol, 25 ml propanol, 2.5 mL chloroform, 5 mL benzene or toluene;3.2 g/100 mL glacial acetic acid;Solubility in water, g/100ml at 25 °C: 0.0004

Color/Form

White needles;Orthorhombic bipyramidal needles from alcohol

Complexity

155

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

EC Number

201-469-6

Exact Mass

154.0782

Formal Charge

Heat of Vaporization

3.48X10+5 J/kg at 40 °C

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

ICSC Number

1674

Isotope Atom Count

Log P

3.92 (LogP);log Kow = 3.92;3.9/4.5

MeSH Entry Terms

acenaphthene

Monoisotopic Mass

154.0782

NSC Number

7657

Other Experimental

Enthalpy of sublimation: 78.7 kJ/mol at 299-320 K;Heat of fusion: 1.344X10+5 J/kg;Wt/vol conversion factor: 6.31 mg/cu m is equivalent to 1 ppm;Forms water-soluble, crystalline complexes with desoxycholic acid, containing two molecules of the bile acid as a rule. The complexes crystallize when concentrated solutions of the proper amount of the components in alcohol or dioxane are allowed to cool slowly.;Acenaphthene reacts with halogens preferentially at the 3-, 5-, and 6- positions. When acenaphthene is irradiated with visible light, the 1-position is accessible. Nitration and sulfonation occur at the 3-, 5-, or 6-position. Catalytic hydrogenation leads to tetra- and decahydroacenaphthene. Oxidation yields naphthalic acid or its anhydride as well as acenaphthenequinone, acenaphthenol, and acenaphthenone.;... Reacts with molecular oxygen in presence of alkali-earth metal bromides to form acenaphthequinone ... in the presence of alkali-earth metal hydroxides, acenaphthene reacts with ozone to produce 1,8-naphthaldehyde carboxylic acid ... can be oxidized to aromatic alcohols and ketones using transition metal compounds as catalysts ...;Acenaphthene can be oxidized to aromatic alcohols and ketones using transition metal compounds as catalysts.;Henry's Law constant = 1.84X10-4 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 9.89X10-11 cu cm/molec-sec at 25 °C;Gas-phase ozone reaction rate constant = 1.7910-19 cu cm/molec-sec at 25 °C;Nitrate radical reaction rate constant = 4.16X10-13 cu cm/molec-sec at 25 °C

Refractive Index

Index of refraction: 1.6048 at 95 °C

Rotatable Bond Count

RTECS Number

AB1000000

Stability

Stable under recommended storage conditions.

Topological Polar Surface Area

0 Å²

UNII

V8UT1GAC5Y

UN Number