2-Bromopyridine(109-04-6) IR1
Product Name2-Bromopyridine
CAS109-04-6
Molecular FormulaC5H4BrN
Molecular Weight158
InChIInChI=1S/C5H4BrN/c6-5-3-1-2-4-7-5/h1-4H
InChIKey IMRWILPUOVGIMU-UHFFFAOYSA-N
SmilesC1(Br)=NC=CC=C1
-
MassMS-NW-2643 2-bromopyridine C5H4BrN (Mass of molecular ion: 157)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 3.2 27.0 5.7 28.0 4.2 37.0 1.3 38.0 2.3 39.0 2.8 49.0 2.1 50.0 11.3 51.0 30.9 52.0 9.1 75.0 1.5 76.0 3.3 77.0 1.1 78.0 100.0 78.5 1.1 79.0 5.9 79.5 1.1 157.0 32.4 158.0 2.0 159.0 30.8 160.0 1.9
parameter in CCl4
90 MHz in CDCl3
-
1H NMR 300 MHz C5 H4 Br N 10 vol% in CCl4 2-bromopyridine 
Parameter ppm Hz
D(A) 8.31 D(B) 7.17 D(C) 7.46 D(D) 7.40 J(A,B) 4.81 J(A,C) 2.09 J(A,D) 0.79 J(B,C) 7.39 J(B,D) 0.94 J(C,D) 8.03 SMITH,W.B. & ROARK,J.L. J.PHYS.CHEM. 73, 1049 (1969)
Hz ppm Int.2496.84 8.323 473 2496.06 8.320 502 2494.80 8.316 514 2494.02 8.313 502 2492.05 8.307 500 2491.20 8.304 521 2490.04 8.300 521 2489.22 8.297 491 2247.61 7.492 245 2245.56 7.485 238 2240.46 7.468 328 2239.60 7.465 563 2238.47 7.462 347 2237.54 7.458 544 2232.48 7.442 646 2230.47 7.435 648 2224.15 7.414 677 2223.07 7.410 1000 2222.11 7.407 756 2216.14 7.387 335 2215.25 7.384 423 2214.11 7.380 263 2157.39 7.191 478 2156.17 7.187 465 2152.59 7.175 478 2151.32 7.171 498 2150.30 7.168 462 2149.08 7.164 412 2145.52 7.152 395 2144.26 7.148 383
-
1H NMR 89.56 MHz C5 H4 Br N 0.05 ml : 0.5 ml CDCl3 2-bromopyridine Assign. Shift(ppm)
A 8.36 B 7.56 C 7.49 D 7.26
Hz ppm Int.752.63 8.404 152 751.75 8.394 178 750.75 8.383 193 749.88 8.373 184 747.88 8.351 177 746.38 8.334 235 745.06 8.320 185 686.50 7.666 103 684.50 7.643 95 680.25 7.596 72 678.56 7.577 417 676.56 7.555 421 673.19 7.517 404 672.31 7.507 1000 670.50 7.487 865 669.75 7.479 656 666.50 7.442 31 665.25 7.428 152 664.25 7.417 141 662.94 7.403 76 657.31 7.340 58 655.88 7.324 440 653.63 7.299 300 651.06 7.270 384 649.63 7.254 257 648.63 7.243 281 647.38 7.229 243 645.06 7.203 216 642.56 7.175 209
in CDCl3
liquid film
