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491-58-7

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Basic Information
CAS No.: 491-58-7
Name: CHRYSAROBIN CRUDE FROM GOA POWDER
Article Data: 17
Molecular Structure:
Molecular Structure of 491-58-7 (CHRYSAROBIN CRUDE FROM GOA POWDER)
Formula: C15H12O3
Molecular Weight: 240.258
Synonyms: 1,8-dihydroxy-3-methyl-10H-anthracen-9-one;Chrysarobin (pure substance);chrysophanol-9-anthrone;1,8-dihydroxy-3-methylanthrone;Anthrone, 1,8-dihydroxy-3-methyl-;9(10H)-Anthracenone,1,8-dihydroxy-3-methyl-;1,8-dihydroxy-3-methyl-9(10H)-anthracenone;Chrysothrone;9(10H)-Anthracenone, 1,8-dihydroxy-3-methyl-;Chrysophanic acid 9-anthrone;Chrysophanic acid-9-anthrone;Chrysophanol anthrone;
EINECS: 207-740-5
Density: 1.367 g/cm3
Melting Point: 203.4-204°
Boiling Point: 483.7 °C at 760 mmHg
Flash Point: 260.4 °C
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-36/37-41-43
Safety: 26-36
PSA: 57.53000
LogP: 2.54140
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Specification

The 1,8-Dihydroxy-3-methylanthracen-9(10H)-one is an organic compound with the formula C15H12O3. The systematic name of this chemical is 1,8-Dihydroxy-3-methylanthracen-9(10H)-one. With the CAS registry number 491-58-7, it is also named as 3-Methyl-1,8-dihydroxy-9,10-dihydro-9-oxoanthracen. Besides, its molecular weight is 240.25398.

Physical properties about 1,8-Dihydroxy-3-methylanthracen-9(10H)-one are: (1)ACD/LogP: 4.62; (2)ACD/LogD (pH 5.5): 4.61; (3)ACD/LogD (pH 7.4): 4.2; (4)ACD/BCF (pH 5.5): 1869.77; (5)ACD/BCF (pH 7.4): 719.38; (6)ACD/KOC (pH 5.5): 7610.53; (7)ACD/KOC (pH 7.4): 2928.09; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.689; (13)Molar Refractivity: 67.12 cm3; (14)Molar Volume: 175.7 cm3; (15)Polarizability: 26.61×10-24 cm3; (16)Surface Tension: 64.7 dyne/cm; (17)Density: 1.367 g/cm3; (18)Flash Point: 260.4 °C; (19)Enthalpy of Vaporization: 77.74 kJ/mol; (20)Boiling Point: 483.7 °C at 760 mmHg; (21)Vapour Pressure: 5.57E-10 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. Besides, this chemical is irritating to eyes and respiratory system. It has risk of serious damage to eyes. It may cause sensitization by skin contact. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C15H12O3/c1-8-5-10-7-9-3-2-4-11(16)13(9)15(18)14(10)12(17)6-8/h2-6,16-17H,7H2,1H3
(2)InChIKey: ZZBWSNKBZKPGAK-UHFFFAOYAG
(3)Std. InChI: InChI=1S/C15H12O3/c1-8-5-10-7-9-3-2-4-11(16)13(9)15(18)14(10)12(17)6-8/h2-6,16-17H,7H2,1H3
(4)Std. InChIKey: ZZBWSNKBZKPGAK-UHFFFAOYSA-N