7-BROMO-5-CHLORO-8-HYDROXYQUINOLINE(7640-33-7) IR2
Product Name7-BROMO-5-CHLORO-8-HYDROXYQUINOLINE
CAS7640-33-7
Molecular FormulaC9H5BrClNO
Molecular Weight258.5
InChIInChI=1S/C9H5BrClNO/c10-6-4-7(11)5-2-1-3-12-8(5)9(6)13/h1-4,13H
InChIKey ADJQQSUBKRASQN-UHFFFAOYSA-N
SmilesN1C2C(=C(Cl)C=C(Br)C=2O)C=CC=1
-
MassMS-NW-7058 7-bromo-5-chloro-8-quinolinol C9H5BrClNO (Mass of molecular ion: 257)
Source Temperature: 150 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 4.4 28.0 1.6 37.0 2.2 38.0 2.4 39.0 4.1 43.0 2.7 44.0 1.0 49.0 1.3 50.0 2.5 51.0 1.7 52.0 1.3 53.0 1.7 56.5 2.0 57.0 2.6 57.5 9.7 58.0 1.2 60.0 1.0 61.0 5.8 62.0 8.7 63.0 7.7 64.0 2.1 72.0 1.3 73.0 3.0 74.0 2.7 74.5 3.0 75.0 9.4 75.5 1.6 76.0 3.7 84.0 1.1 85.0 2.3 86.0 4.9 87.0 9.6 88.0 8.0 89.0 2.3 96.5 1.0 97.0 3.2 97.5 1.0 98.0 2.0 99.0 1.5 114.0 14.9 114.5 6.4 115.0 16.4 115.5 8.0 116.0 2.0 116.5 1.9 122.0 1.3 123.0 8.1 124.0 1.9 125.0 2.6 128.5 2.2 129.5 2.9 149.0 5.8 150.0 40.8 151.0 6.0 152.0 13.0 153.0 1.4 178.0 9.6 179.0 2.1 180.0 3.4 194.0 1.3 196.0 1.1 228.0 1.9 229.0 10.5 230.0 3.3 231.0 13.3 232.0 1.9 233.0 3.5 257.0 77.0 258.0 8.5 259.0 100.0 260.0 10.8 261.0 24.5 262.0 2.6
90 MHz in CDCl3
-
1H NMR 89.56 MHz C9 H5 Br Cl N O 0.012 g : 0.5 ml CDCl3 7-bromo-5-chloro-8-quinolinol 
Assign. Shift(ppm)
A 8.839 B 8.494 C 7.721 D 7.585 E 4. J(A,D)=4.3HZ. J(A,B)=1.4HZ. J(B,D)=8.6HZ.
Hz ppm Int.794.53 8.872 212 793.10 8.856 238 790.36 8.825 238 788.82 8.808 242 766.17 8.555 243 764.74 8.539 216 762.76 8.517 40 762.44 8.514 42 761.89 8.508 36 760.68 8.494 43 760.24 8.489 39 759.91 8.485 41 757.60 8.460 301 756.17 8.444 265 754.41 8.424 46 753.75 8.417 43 752.32 8.401 33 691.53 7.722 1000 689.23 7.696 51 688.90 7.693 51 688.46 7.688 47 687.69 7.679 45 687.25 7.674 46 685.16 7.651 273 683.51 7.632 73 680.87 7.603 265 676.58 7.555 232 674.83 7.535 64 672.41 7.508 207
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
