purpurin

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Names

[ CAS No. ]:
81-54-9

[ Name ]:
purpurin

[Synonym ]:
EINECS 201-359-8
Verantin
Purpurin
1,2,4-Trihydroxy-9,10-anthracenedione
C.I. Natural Red 16
natural red 16
1,2,4-Trihydroxy-9,10-anthraquinone
9,10-Anthracenedione, 1,2,4-trihydroxy-
Purpurine
C.I. Natural Red 8
1,2,4-trihydroxyanthracene-9,10-dione
1,2,4-trishydroxy-9,10-anthraquinone
1,2,4-Trihydroxyanthraquinone
Smoke Brown G
MFCD00001203
Hydroxylizaric acid

Chemical & Physical Properties

[ Density]:
1.7±0.1 g/cm3

[ Boiling Point ]:
525.1±45.0 °C at 760 mmHg

[ Melting Point ]:
253-256ºC(lit.)

[ Molecular Formula ]:
C14H8O5

[ Molecular Weight ]:
256.210

[ Flash Point ]:
285.4±25.2 °C

[ Exact Mass ]:
256.037170

[ PSA ]:
94.83000

[ LogP ]:
4.60

[ Appearance of Characters ]:
Powder

[ Vapour Pressure ]:
0.0±1.4 mmHg at 25°C

[ Index of Refraction ]:
1.773

[ Storage condition ]:
2-8C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CB8200000
CHEMICAL NAME :
Anthraquinone, 1,2,4-trihydroxy-
CAS REGISTRY NUMBER :
81-54-9
BEILSTEIN REFERENCE NO. :
1887127
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C14-H8-O5
MOLECULAR WEIGHT :
256.22
WISWESSER LINE NOTATION :
L C666 BV IVJ DQ EQ GQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
20 mg/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 240,1,1990

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: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26;S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
CB8200000

[ HS Code ]:
2914690090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Alizarin
  • Anthraquinone
  • 1,3,4-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid
  • Phthalic anhydride
  • 2-Chlorophenol
  • 1,4-Dihydroxy-2-amino-9,10-anthracenedione
  • 1,4-Dihydroxy-2-(hydroxymethyl)-9,10-anthraquinone
  • Quinizarin
  • 1,4-Anthracenedione,2,3-dihydro-9,10-dihydroxy-

DownStream

  • 1,4-Naphthalenedione,2-acetyl-3-hydroxy-
  • 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-[2]naphthyl)-3-oxo-propionic acid
  • Quinizarin
  • 9,10-Anthracenedione,2-butyl-1,4-dihydroxy-
  • 2,5-DIHYDROXY-1,4-BENZOQUINONE
  • 6,15-Dihydro-8-hydroxy-5,9,14,18-anthrazinetetrone
  • 9,10-Anthracenedione,1-amino-2,4-dihydroxy-
  • 1-hydroxy-2,4-bis(phenylamino)anthraquinone
  • 1,3,4-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid
  • 9,10-Anthracenedione,1,2,4,5,6,8-hexahydroxy-

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

Structural and optical properties of Purpurin for dye-sensitized solar cells.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 149 , 997-1008, (2015)

In this work, we reported a combined experimental and theoretical study on molecular structure, vibrational spectra and Homo-Lumo analysis of Purpurin and TiO2/Purpurin. The geometries, electronic str...

Protection against the bacterial mutagenicity of heterocyclic amines by purpurin, a natural anthraquinone pigment.

Mutat. Res. 444(2) , 451-61, (1999)

Purpurin (1,2,4-trihydroxy-9,10-anthraquinone) is a naturally occurring anthraquinone pigment found in species of madder root. We have found that the presence of purpurin in bacterial mutagenicity ass...

Toxicity and tumorigenicity of purpurin, a natural hydroxanthraquinone in rats: induction of bladder neoplasms.

Cancer Lett. 102(1-2) , 193-8, (1996)

Chronic toxicity and tumorigenicity of purpurin, a natural hydroxyanthraquinone, was examined in two groups of male F344 rats. One group was given a basal diet mixed with purpurin at a concentration o...


More Articles

Related Compounds

  • Purpurin a
  • NT2 Purpurin
  • NT1 Purpurin
  • 3-Nitro-purpurin
  • PURPURIN SULFONATE
  • 3-O-Methylpurpurin
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