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Acenaphthenequinone

Acenaphthenequinone structure

CAS No:
82-86-0
Formula:
C12H6O2
Chemical Name:
Acenaphthenequinone
Synonyms:
1,2-Acenaphthylenedione;Acenaphthenequinone;1,2-Acenaphthenedione;1,2-Acenaphthenequinone;Acenaphthoquinone;Acenaphthenedione;Acenaphthylenequinone;Acenaphthylene-1,2-quinone;NSC 7656;Acenapthylen-1,2-dione;Acenaphthalen-1,2-dione;1,2-Dihydroacenaphthylene-1,2-dione;131213-20-2
Categories:
Chemical Reagents > Organic Reagents

Description

ochre powder and granules

Acenaphthoquinone is an orthoquinone that is the 1,2-dioxo derivative of acenaphthene. It has a role as an epitope and a chain carrier. It derives from a hydride of an acenaphthene.

Acenaphthenequinone Basic Attributes

Molecular Weight：

182.17

Exact Mass：

182.17

BRN：

879172

EC Number：

201-441-3

UNII：

3950D6UEIQ

NSC Number：

7656

DSSTox ID：

DTXSID7049429

Color/Form：

YELLOW NEEDLES FROM ACETIC ACID

HScode：

29146990

Characteristics

PSA：

34.1

XLogP3：

2.28

Appearance：

Ochre Powder and Granules

Density：

1.48 g/cm³

Melting Point：

261 °C

Boiling Point：

67 C

Flash Point：

150.2±4.4 °C

Refractive Index：

1.746

Water Solubility：

INSOL IN WATER; SLIGHTLY SOL IN ACETIC ACID; SLIGHTLY SOL IN ALC, HOT BENZENE; HOT PETROLEUM ETHER

Storage Conditions：

Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.

Toxicity：

Unknown-Rat LD50: 728mg/kg

Flammability characteristics：

Flammable; decomposes by heating to release irritating smoke

Collision Cross Section：

145.51 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|143.8 Å² [M+H]+

Safety Information

Packing level：

II; III

Hazard category：

4.1

Transport codes：

UN 2920

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

RTECS Number：

AB1024500

Marks：

Storage features：

Warehouse ventilated, low temperature and dry

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

Non-Human Toxicity Values：

LD50 ALTERNARIA SOLAN: 10 PPM ON SLIDES

Drug Information

Human Toxicity Excerpts：

QUINONES...SHOWN TO BE RESPONSIBLE FOR BROWN DISCOLORATION OF CORNEA & EXPOSED BULBAR CONJUNCTIVA WHICH GRADUALLY DEVELOPED IN WORKERS WHO WERE EXPOSED TO VAPORS ASSOCIATED WITH MFR...OF SYNTHETIC ANILINE DYES. /QUINONES/

MeSH Entry Terms：

acenaphthenequinone

Acenaphthenequinone Use and Manufacturing

Methods of Manufacturing

It is obtained by oxidizing acenaphthene with sodium dichromate: Put acenaphthene, glacial acetic acid and cerium acetate in a stainless steel reactor with a cooling jacket, stir, add a metered amount of sodium dichromate dihydrate within 2h, and keep the temperature at 40°C. Then stirring was continued for 8h at room temperature. Dilute with cold water, filter, and wash with water until acid-free. The solids and 10% sodium carbonate solution were boiled on a steam bath for 30 minutes, filtered and washed. Then the solid was extracted with sodium bisulfite (4% solution) at 80°C for 30 min, then filter aid diatomaceous earth and activated carbon were added, and then filtered. Repeat the extraction once, combine the filtrates and acidify them with concentrated hydrochloric acid at 80°C under constant stirring until the Congo red test paper turns blue, and continue to heat and stir at 80°C for 1 hour. Acenaphthene quinone precipitates out as bright yellow crystals. It is filtered and washed with water to remove acidity to obtain acenaphthoquinone with a yield of 38%-60%. The melting point is 256-260°C. After recrystallization with o-dichlorobenzene and washing with methanol, the melting point can reach 256-260℃. Examples of ingredients: 100 g of acenaphthene, 800 ml of glacial acetic acid, 5 g of cerium acetate, 325 g of sodium dichromate dihydrate, and the product is 45-70 g.

Uses

Acenaphthoquinone is an intermediate of dyes and pesticides.

Manufacturing Info：

1,2-Acenaphthylenedione: ACTIVE

Computed Properties

Molecular Weight:182.17
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Exact Mass:182.036779430
Monoisotopic Mass:182.036779430
Topological Polar Surface Area:34.1
Heavy Atom Count:14
Complexity:267
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Sodium bisulfite

1,2-Dichlorobenzene

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