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CAS No.: | 119171-73-2 |
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Name: | 10-ACETYL-3,7-DIHYDROXYPHENOXAZINE |
Molecular Structure: | |
Formula: | C14H11NO4 |
Molecular Weight: | 257.246 |
Synonyms: | 10H-Phenoxazine-3,7-diol,10-acetyl- (9CI);10-Acetyl-3,7-dihydroxyphenoxazine;A 6550;Amplex Red;Amplex UltraRed;Ampliflu Red;SuperRed; |
Density: | 1.459 g/cm3 |
Melting Point: | >250 °C (decomp) |
Boiling Point: | 618.6 °C at 760 mmHg |
Flash Point: | 327.9 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 70.00000 |
LogP: | 2.95310 |
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The Ethanone,1-(3,7-dihydroxy-10H-phenoxazin-10-yl)-, with its CAS registry number 119171-73-2, has the systematic name of 1-(3,7-dihydroxy-10H-phenoxazin-10-yl)ethanone. With its molecular foumula of C14H11NO4, it has the formula weight of 257.24. For being a kind of harmful chemical, it may cause damage to health, so you should be careful while using. When store it, you should keep it sealed in the cool, dry and well-ventilated place, and this chemical will not decompose if follow the using and storage specifications.
The characteristics of Ethanone,1-(3,7-dihydroxy-10H-phenoxazin-10-yl)- are as follows: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 2.78; (6)ACD/BCF (pH 7.4): 2.72; (7)ACD/KOC (pH 5.5): 72.29; (8)ACD/KOC (pH 7.4): 70.74; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48 Å2; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 67.32 cm3; (15)Molar Volume: 176.2 cm3; (16)Polarizability: 26.68×10-24cm3; (17)Surface Tension: 68.2 dyne/cm; (18)Density: 1.459 g/cm3; (19)Flash Point: 327.9 °C; (20)Enthalpy of Vaporization: 95.07 kJ/mol; (21)Boiling Point: 618.6 °C at 760 mmHg; (22)Vapour Pressure: 6.77E-16 mmHg at 25°C.
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:O=C(N1c3c(Oc2c1ccc(O)c2)cc(O)cc3)C
(2)InChI:InChI=1/C14H11NO4/c1-8(16)15-11-4-2-9(17)6-13(11)19-14-7-10(18)3-5-12(14)15/h2-7,17-18H,1H3
(3)InChIKey:PKYCWFICOKSIHZ-UHFFFAOYAF
(4)Std. InChI:InChI=1S/C14H11NO4/c1-8(16)15-11-4-2-9(17)6-13(11)19-14-7-10(18)3-5-12(14)15/h2-7,17-18H,1H3
(5)Std. InChIKey:PKYCWFICOKSIHZ-UHFFFAOYSA-N