Anthrarufin

Names

[ CAS No. ]:
117-12-4

[ Name ]:
Anthrarufin

[Synonym ]:
1,5-DIHYDROXYANTHRAQUINONE
9,10-Anthracenedione, 1,5-dihydroxy-
EINECS 204-175-6
1,5-Dihydroxyanthracene-9,10-dione
1,5-Dihydroxy-9,10-anthraquinone
Anthrarufin
MFCD00001210

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
452.7±35.0 °C at 760 mmHg

[ Melting Point ]:
279 °C (dec.)(lit.)

[ Molecular Formula ]:
C₁₄H₈O₄

[ Molecular Weight ]:
240.211

[ Flash Point ]:
241.7±22.4 °C

[ Exact Mass ]:
240.042252

[ PSA ]:
74.60000

[ LogP ]:
4.57

[ Vapour density ]:
8.3 (vs air)

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.733

[ Storage condition ]:
-20?C Freezer

[ Water Solubility ]:
Insuluble (9.8E-4 g/L) (25 ºC)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CB6630000

CHEMICAL NAME :: Anthraquinone, 1,5-dihydroxy-

CAS REGISTRY NUMBER :: 117-12-4

BEILSTEIN REFERENCE NO. :: 1881718

LAST UPDATED :: 199709

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C14-H8-O4

MOLECULAR WEIGHT :: 240.22

WISWESSER LINE NOTATION :: L C666 BV IVJ DQ KQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 50 ug/plate

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 40,203,1976 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 82068 No. of Facilities: 28 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 308 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38:Irritating to eyes, respiratory system and skin .

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
CB6630000

[ HS Code ]:
2914690090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

1,4-dioxo-1,2,3,4-tetrahydro-5,9,10-trihydroxyanthracene(leuco 1,4,5-trihydroxy-9,10-anthraquinone)
1,5-Diacetoxy-9,10-anthraquinone
1 5-dinitroanthraquinone 97
(E)-4-(benzylimino)-5,9,10-trihydroxy-3,4-dihydroanthracen-1(2H)-one
1,5-Anthraquinonedisulfonic acid
Anthraquinone
Propionaldehyde
1,5-Diaminoanthraquinone
3-methoxy-2-(3-methoxybenzoyl)benzoic acid

DownStream

2,2'-[[(9,10-Dihydro-4,8-dihydroxy-9,10-dioxoanthracene)-1,5-diyl]bisimino]bis(5-methylbenzenesulfonic acid)
9,10-Anthracenedione,1,5-dihydroxy-4,8-bis[(4-methylphenyl)amino]-
1,4,5,8,9,10-Anthracenehexol
1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione
1,5-Dinitro-4,8-dihydroxyanthraquinone
1,5-Diacetoxy-9,10-anthraquinone
2,6-bis(2-chloroprop-2-enyl)-1,5-dihydroxyanthracene-9,10-dione
1,5-bis(prop-2-enoxy)anthracene-9,10-dione
4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulphonic acid
C.I. 58230

Customs

[ HS Code ]: 2914690090

[ Summary ]:
2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Articles

Identification of Hydroxyanthraquinones as Novel Inhibitors of Hepatitis C Virus NS3 Helicase.

Int. J. Mol. Sci. 16 , 18439-53, (2015)

Hepatitis C virus (HCV) is an important etiological agent of severe liver diseases, including cirrhosis and hepatocellular carcinoma. The HCV genome encodes nonstructural protein 3 (NS3) helicase, whi...