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Anthrarufin

Anthrarufin structure

CAS No:
117-12-4
Formula:
C14H8O4
Chemical Name:
Anthrarufin
Synonyms:
9,10-Anthracenedione,1,5-dihydroxy-;Anthrarufin;Anthraquinone,1,5-dihydroxy-;1,5-Dihydroxy-9,10-anthracenedione;1,5-Dihydroxyanthraquinone;1,5-Dihydroxy-9,10-anthraquinone;NSC 646570;NSC 7211;1,5-Dihydroxy-9,10-dihydroanthracene-9,10-dione;32073-06-6
Categories:
Chemical Reagents > Organic Reagents

Description

Yellow to Green SolidChEBI: A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 5.

Anthrarufin is a dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 5. It derives from a hydride of an anthracene.

Anthrarufin Basic Attributes

Molecular Weight：

240.21

Exact Mass：

240.21

BRN：

1881718

EC Number：

204-175-6

UNII：

KPB60W5S3M

NSC Number：

646570|7211

DSSTox ID：

DTXSID8051594

HScode：

29146990

Characteristics

PSA：

74.6

XLogP3：

4.57

Density：

1.56 g/cm³

Melting Point：

280 °C

Boiling Point：

342.92°C (rough estimate)

Flash Point：

241.7±22.4 °C

Refractive Index：

1.5430 (estimate)

Water Solubility：

H2O: Insuluble (9.8E-4 g/L) (25 ºC)

Storage Conditions：

-20°C Freezer

Vapor Density：

8.3 (vs air)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39-36/37

RTECS Number：

CB6630000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (97.44%): 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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1,5-DHAQ

Anthrarufin Use and Manufacturing

Methods of Manufacturing

There are anthraquinone sulfonation and benzoic acid sulfonation. (1) Using anthraquinone as the raw material and mercury sulfate as the positioning agent, 1, 5-anthraquinone disulfonic acid and 1, 8-anthraquinone disulfonic acid are obtained by sulfonation. 1, 5-Anthraquinone disulfonic acid can be obtained by alkali melting and acidification to obtain 1, 5-dihydroxyanthraquinone. (2) Using benzoic acid as raw material, it is obtained by sulfonation, alkali melting, acidification, condensation and ring closure. This method does not use a mercury catalyst, which removes mercury damage, but the closed-loop one-step yield is only 40%, and consumes a lot of aluminum trichloride. This method consumes a lot of energy, but also brings pollution in other areas, and the production cost is high.

Uses

Important intermediate in the manufacture of alizarin and indanthrene dyestuffs.Forms insoluble Ba and Ca lakes; has been proposed as analytical reagent for the detection of Ca.

Manufacturing Info：

9,10-Anthracenedione, 1,5-dihydroxy-: INACTIVE

Computed Properties

Molecular Weight:240.21
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:240.04225873
Monoisotopic Mass:240.04225873
Topological Polar Surface Area:74.6
Heavy Atom Count:18
Complexity:342
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Aluminum trichloride hexahydrate

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1,5-dihydroxyanthraquinone

CAS No.: 117-12-4

Content: 99.00%

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