5-Bromo-2-chlorobenzotrifluoride(445-01-2) Raman
Product Name5-Bromo-2-chlorobenzotrifluoride
CAS445-01-2
Molecular FormulaC7H3BrClF3
Molecular Weight259.45
InChIInChI=1S/C7H3BrClF3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
InChIKey XGOCKBMEZPNDPJ-UHFFFAOYSA-N
SmilesC1(Cl)=CC=C(Br)C=C1C(F)(F)F
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MassMS-IW-1262 5-bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene C7H3BrClF3 (Mass of molecular ion: 258)
Source Temperature: 240 °C Sample Temperature: 160 °C Reservoir, 75 eV
37.0 1.5 38.0 1.1 49.0 1.0 50.0 3.6 61.0 1.0 62.0 2.7 69.0 4.8 73.0 2.7 74.0 10.1 75.0 11.2 80.0 2.0 84.0 1.3 85.0 1.5 89.5 3.8 90.5 1.2 93.0 2.8 94.0 3.1 99.0 2.7 109.0 2.6 110.0 1.8 111.0 1.2 119.0 1.0 120.5 1.1 123.0 1.3 125.0 6.6 129.0 4.4 130.0 1.6 131.0 1.4 143.0 7.5 144.0 14.7 145.0 1.6 159.0 2.3 160.0 1.6 161.0 1.0 179.0 46.0 180.0 4.7 181.0 15.2 182.0 1.4 208.0 2.7 210.0 3.5 223.0 6.4 225.0 6.4 239.0 6.1 241.0 8.0 243.0 2.0 258.0 77.0 259.0 6.3 260.0 100.0 261.0 7.8 262.0 24.5 263.0 1.9
in CDCl3
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H3 Br Cl F3 0.05 ml : 0.5 ml CDCl3 5-bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene 
Assign. Shift(ppm)
A 7.802 B 7.573 C 7.350
Hz ppm Int.3119.26 7.805 971 3116.94 7.800 1000 3032.59 7.589 505 3031.98 7.587 481 3030.15 7.583 492 3029.66 7.581 446 3027.10 7.575 49 3024.05 7.567 608 3023.44 7.566 576 3021.61 7.561 584 3021.12 7.560 534 2941.65 7.361 911 2933.11 7.340 756 2932.50 7.338 743
in CDCl3
liquid film
