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| CAS No.: | 103030-28-0 |
|---|---|
| Name: | 6-BROMO-2-METHYL-4-QUINOLINOL |
| Molecular Structure: | |
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| Formula: | C10H8BrNO |
| Molecular Weight: | 238.084 |
| Synonyms: | 6-Bromo-2-methyl-4-quinolinol; |
| Density: | 1.6±0.1 g/cm3 |
| Melting Point: | 338 °C |
| Boiling Point: | 368.8±37.0 °C at 760 mmHg |
| Flash Point: | 176.9±26.5 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-41 |
| Safety: | 26-39 |
| PSA: | 33.12000 |
| LogP: | 3.01130 |
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Specification
The CAS register number of 6-Bromo-2-methyl-4-quinolinol is 103030-28-0. It also can be called as 4-Quinolinol, 6-bromo-2-methyl- and the systematic name about this chemical is 6-Bromo-2-methyl-1H-quinolin-4-one.
Physical properties about 6-Bromo-2-methyl-4-quinolinol are: (1)ACD/LogP: 4.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 1.28; (6)ACD/BCF (pH 7.4): 1.28; (7)ACD/KOC (pH 5.5): 8.38; (8)ACD/KOC (pH 7.4): 8.4; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 53.9 cm3; (15)Molar Volume: 156.2 cm3; (16)Surface Tension: 43.3 dyne/cm; (17)Density: 1.523 g/cm3; (18)Flash Point: 152.3 °C; (19)Enthalpy of Vaporization: 57.06 kJ/mol; (20)Boiling Point: 328.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000192 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: Brc2ccc1c(C(=O)\C=C(/N1)C)c2
2.InChI: InChI=1/C10H8BrNO/c1-6-4-10(13)8-5-7(11)2-3-9(8)12-6/h2-5H,1H3,(H,12,13)
3.InChIKey: WPSHYKVAGQUPJD-UHFFFAOYAH
4.Std.InChI: InChI=1S/C10H8BrNO/c1-6-4-10(13)8-5-7(11)2-3-9(8)12-6/h2-5H,1H3,(H,12,13)