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84-51-5

Basic Information
CAS No.: 84-51-5
Name: 9,10-Anthracenedione,2-ethyl-
Article Data: 37
Cas Database
Molecular Structure:
Molecular Structure of 84-51-5 (9,10-Anthracenedione,2-ethyl-)
Formula: C16H12O2
Molecular Weight: 236.27
Synonyms: Anthraquinone,2-ethyl- (7CI,8CI);2-Ethyl-9,10-anthraquinone;Kayacure2-EAQ;NSC 7216;b-Ethylanthraquinone;2-Ethyl Anthraquinone;
EINECS: 201-535-4
Density: 1.231 g/cm3
Melting Point: 108-111 °C(lit.)
Boiling Point: 415.4 °C at 760 mmHg
Flash Point: 155.4 °C
Solubility: Insoluble in water.
Appearance: white or yellowish crystals or powder
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/37/38
Safety: 24/25-36-26
Transport Information: N/A
PSA: 34.14000
LogP: 3.02440
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    2-Ethyl anthraquinone

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    Product Name: 2-Ethyl anthraquinone Synonyms: Ethylanthraquinone;USAF so-1;usafso-1;2-ETHYLANTHRAQUINONE;2-ETHYL ANTHROQUINONE;2-Ethyl-9,10-anthracenedione;TIMTEC-BB SBB008818;Ethylanthraquinone,98% CAS: 84-51-5 MF: C16H12O2 MW: 236.27 EI

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    2-Ethyl-9,10-anthraquinone

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    2-Ethyl Anthraquinone

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  • 2-ETHYL ANTHRAQUINONE

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    2-ETHYL ANTHRAQUINONE

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Standards and Recommendations

Assay - 98.5% min.

Specification

The 2-Ethyl Anthraquinone, with the CAS registry number 84-51-5, is also known as beta-Ethylanthraquinone. It belongs to the product categories of Intermediates of Dyes and Pigments; Organics; Anthraquinones; Chloroanthraquine, etc.; Functional Materials; Photopolymerization Initiators; Photoluminescent Materials > Light-Emitting Dopants and Fluorescent Dyes; Photonic and Optical Materials. Its EINECS registry number is 201-535-4. This chemical's molecular formula is C16H12O2 and molecular weight is 236.27. Its IUPAC name is called 2-ethylanthracene-9,10-dione. This chemical is white or yellowish crystals or powder. What's more, you should keep it airproof in dry and cool place and keep away from light.

Physical properties of 2-Ethyl Anthraquinone: (1)ACD/LogP: 4.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.38; (4)ACD/LogD (pH 7.4): 4.38; (5)ACD/BCF (pH 5.5): 1246.07; (6)ACD/BCF (pH 7.4): 1246.07; (7)ACD/KOC (pH 5.5): 5719.9; (8)ACD/KOC (pH 7.4): 5719.9; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.629; (13)Molar Refractivity: 68.21 cm3; (14)Molar Volume: 191.8 cm3; (15)Surface Tension: 51.1 dyne/cm; (16)Density: 1.231 g/cm3; (17)Melting Point: 108-111 °C(lit.); (18)Flash Point: 155.4 °C; (19)Enthalpy of Vaporization: 66.85 kJ/mol; (20)Boiling Point: 415.4 °C at 760 mmHg; (21)Vapour Pressure: 4.14E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-ethyl-9,10-dimethoxyanthracene. This reaction will need reagent phenyliodine(III) bis(trifluoroacetate) and solvent H2O, methanol. The reaction time is 6 hours with reaction temperature of 20 ℃. The yield is about 97%.

Uses of 2-Ethyl Anthraquinone: This chemical can be used to produce hydrogen peroxide in industries and also can be used as dye intermediates, light-cured resin catalyst, photodegradation membrane, coatings and photosensitive polymerization initiator.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. In addition, it is irritating to eyes, respiratory system and skin. You should avoid contacting it with skin and eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
(2)InChI: InChI=1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3
(3)InChIKey: SJEBAWHUJDUKQK-UHFFFAOYSA-N

The toxicity data is as follows:
 

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,
rabbit LD50 skin > 20gm/kg (20000mg/kg)   National Technical Information Service. Vol. OTS0534314,
rat LD50 oral 2795mg/kg (2795mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. OTS0534314,