CAS No.84-60-6,2,6-DIHYDROXYANTHRAQUINONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	84-60-6
Name:	2,6-DIHYDROXYANTHRAQUINONE
Article Data:	19

Formula:	C₁₄H₈O₄
Molecular Weight:	240.215
Synonyms:	Anthraflavicacid (6CI);Anthraquinone, 2,6-dihydroxy- (8CI);2,6-Dihydroxy-9,10-anthracenedione;2,6-Dihydroxy-9,10-anthraquinone;2,6-Dihydroxyanthraquinone;Anthraflavin;NSC-33531;
EINECS:	201-544-3
Density:	1.54 g/cm³
Melting Point:	>320 ºC (lit.)
Boiling Point:	442.1 ºC at 760 mmHg
Flash Point:	235.3 ºC
Appearance:	solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39-36
PSA:	74.60000
LogP:	1.87320

Synthetic route

: 84-50-4
Anthraquinone-2,6-disulfonic acid

A: 84-60-6
anthraflavic acid

B: 85918-30-5
2,3,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With potassium carbonate

: 84-50-4
Anthraquinone-2,6-disulfonic acid

A: 84-60-6
anthraflavic acid

B: 82-29-1
1,2,6-trihydroxyanthraquinone

Conditions

Conditions	Yield
With sodium hydroxide; potassium nitrate

: 860597-60-0
4-hydroxy-2-(4-methoxy-benzoyl)-benzoic acid

: 84-60-6
anthraflavic acid

Conditions

Conditions	Yield
With boron trioxide; sulfuric acid at 100℃; durch Erhitzen des Reaktionsprodukts mit AlCl3 auf 230grad;

: 99-06-9
3-Carboxyphenol

A: 117-12-4
1,5-dihydroxyanthraquinone

B: 84-60-6
anthraflavic acid

C: 569-08-4
1,7-dihydroxy-anthraquinone

Conditions

Conditions	Yield
at 350℃; Leiten des Dampfes unter vermindertem Druck durch ein mit Tonscherben gefuelltes Rohr;
at 330℃;

...Expand

: 99-06-9
3-Carboxyphenol

: 84-60-6
anthraflavic acid

Conditions

Conditions	Yield
trennt man vom 1.7-Dioxy-anthrachinon durch Umkrystallisieren aus Pyridin;

: 99-06-9
3-Carboxyphenol

A: 84-60-6
anthraflavic acid

B: 569-08-4
1,7-dihydroxy-anthraquinone

Conditions

Conditions	Yield
With sulfuric acid at 180 - 200℃;

: 120-12-7
anthracene

A: 83-72-7
2-Hydroxy-1,4-naphthoquinone

B: 72-48-0
1,2-dihydroxy-9,10-anthracenedione

C: 84-60-6
anthraflavic acid

D: 108-95-2
phenol

Conditions

Conditions	Yield
In water Oxidation; Formation of xenobiotics; simulated solar irradiation; Further byproducts given;

...Expand

: 84-65-1
9,10-phenanthrenequinone

alkaline solution: alkaline solution

sodium sulfite: sodium sulfite

nitric: nitric

A: 72-48-0
1,2-dihydroxy-9,10-anthracenedione

B: 84-60-6
anthraflavic acid

C 1.2.6-trioxy-anthraquinone: 1.2.6-trioxy-anthraquinone

D 1.2.7-trioxy-anthraquinone: 1.2.7-trioxy-anthraquinone

Conditions

Conditions	Yield
at 180 - 200℃; unter Druck und Behandeln des Reaktionsproduktes mit Luft;

...Expand

: 7664-93-9
sulfuric acid

: 99-06-9
3-Carboxyphenol

A: 117-12-4
1,5-dihydroxyanthraquinone

B: 84-60-6
anthraflavic acid

C metabenzdioxyanthraquinone: metabenzdioxyanthraquinone

Conditions

Conditions	Yield
at 180 - 200℃; im geschlossenen Rohr;

...Expand

: 7664-93-9
sulfuric acid

: 7732-18-5
water

: 99-06-9
3-Carboxyphenol

: 65-85-0
benzoic acid

A: 117-12-4
1,5-dihydroxyanthraquinone

B: 84-60-6
anthraflavic acid

C metabenzdioxyanthraquinone: metabenzdioxyanthraquinone

Conditions

Conditions	Yield
at 180 - 200℃;

...Expand

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 2,6-Dihydroxy-anthraquinon, with the CAS registry number 84-60-6, is also known as 2,6-Dihydroxy-9,10-anthraquinone. It belongs to the product categories of Anthraquinones, Hydroquinones and Quinones; Anthraquinones; Highly Purified Reagents; Hydroxyanthraquinones; Other Categories; Refined Products by Sublimation. Its EINECS registry number is 201-544-3. This chemical's molecular formula is C₁₄H₈O₄ and molecular weight is 240.21. What's more, both its IUPAC name and systematic name are the same which is called 2,6-Dihydroxyanthracene-9,10-dione. It should be kept in a cold, dry and sealed place.

Physical properties about 2,6-Dihydroxy-anthraquinon are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 197.31; (6)ACD/BCF (pH 7.4): 23.48; (7)ACD/KOC (pH 5.5): 1504.04; (8)ACD/KOC (pH 7.4): 178.99; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.732; (14)Molar Refractivity: 62.43 cm³; (15)Molar Volume: 155.9 cm³; (16)Surface Tension: 79.2 dyne/cm; (17)Density: 1.54 g/cm³; (18)Flash Point: 235.3 °C; (19)Enthalpy of Vaporization: 72.65 kJ/mol; (20)Boiling Point: 442.1 °C at 760 mmHg; (21) Vapour Pressure: 1.99E-08 mmHg at 25 °C.

Uses of 2,6-Dihydroxy-anthraquinon: it is used to produce other chemicals. For example, it can react to get Anthracene-2,6-diol. This reaction needs reagents Al(Hg), NH₄OH and solvents ethanol, H₂O at temperature of 60-65 °C. The reaction time is 2 hours. The yield is 78 %.

2,6-Dihydroxy-anthraquinon can react to get Anthracene-2,6-diol.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. If swallowed, it's harmful to health. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1c(ccc(O)c1)C(=O)c3c2ccc(O)c3
(2) InChI: InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
(3) InChIKey: APAJFZPFBHMFQR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	180mg/kg (180mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06773,