2-Chloropyridine(109-09-1) MS
Product Name2-Chloropyridine
CAS109-09-1
Molecular FormulaC5H4ClN
Molecular Weight113.54
InChIInChI=1S/C5H4ClN/c6-5-3-1-2-4-7-5/h1-4H
InChIKey OKDGRDCXVWSXDC-UHFFFAOYSA-N
SmilesC1(Cl)=NC=CC=C1
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MassMS-NW-4434 2-chloropyridine C5H4ClN (Mass of molecular ion: 113)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
26.0 4.5 27.0 4.8 28.0 2.0 37.0 2.2 38.0 3.0 39.0 2.5 49.0 3.1 50.0 13.4 51.0 32.5 52.0 9.6 56.5 1.9 60.0 2.0 62.0 1.3 73.0 1.1 75.0 2.5 76.0 4.2 77.0 1.1 78.0 100.0 79.0 6.3 85.0 1.6 86.0 1.5 113.0 69.9 114.0 4.4 115.0 23.5 116.0 1.4
90 MHz in CDCl3
parameter in CCl4
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1H NMR 89.56 MHz C5 H4 Cl N 0.02 ml : 0.5 ml CDCl3 2-chloropyridine 
Assign. Shift(ppm)
A 8.387 B 7.642 C 7.32 D 7.23 J(A,D)=4.8HZ. J(A,B)=2.0HZ. J(A,C)=0.7HZ.
Hz ppm Int.755.13 8.432 236 754.38 8.424 272 753.13 8.410 294 752.31 8.401 288 750.31 8.378 278 749.63 8.371 292 748.25 8.355 318 747.50 8.347 301 694.63 7.757 357 692.56 7.733 348 687.44 7.676 480 686.56 7.666 573 685.31 7.652 462 684.50 7.643 581 679.38 7.586 810 677.31 7.563 761 660.63 7.377 540 659.44 7.364 966 658.56 7.354 826 652.81 7.290 880 651.69 7.277 1000 650.50 7.264 446 648.00 7.236 667 646.81 7.223 523 645.63 7.209 514 644.44 7.196 455 640.81 7.156 444 639.56 7.142 400
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1H NMR 300 MHz C5 H4 Cl N 10 mol% in CCl4 2-chloropyridine Parameter ppm Hz
D(A) 8.320 D(B) 7.162 D(C) 7.592 D(D) 7.257 J(A,B) 4.83 J(A,C) 1.97 J(A,D) 0.88 J(B,C) 7.41 J(B,D) 0.97 J(C,D) 7.98 COX,R.H. & BOTHNER-BY,A.A. J.PHYS.CHEM. 73, 2465 (1969)
Hz ppm Int.2499.84 8.333 491 2498.99 8.330 530 2497.89 8.326 542 2497.03 8.323 522 2495.03 8.317 525 2494.17 8.314 551 2493.06 8.310 551 2492.21 8.307 515 2286.53 7.622 377 2284.58 7.615 373 2279.07 7.597 562 2278.60 7.595 588 2277.13 7.590 568 2276.65 7.589 565 2271.16 7.571 497 2269.20 7.564 486 2181.83 7.273 573 2180.95 7.270 1000 2180.05 7.267 612 2173.85 7.246 501 2172.97 7.243 854 2172.07 7.240 513 2155.05 7.183 522 2154.10 7.180 491 2150.23 7.167 519 2149.28 7.164 505 2147.68 7.159 491 2146.71 7.156 455 2142.84 7.143 450 2141.89 7.140 429
in CDCl3
liquid film
