2-Fluoropyridine(372-48-5) Raman
Product Name2-Fluoropyridine
CAS372-48-5
Molecular FormulaC5H4FN
Molecular Weight97.09
InChIInChI=1S/C5H4FN/c6-5-3-1-2-4-7-5/h1-4H
InChIKey MTAODLNXWYIKSO-UHFFFAOYSA-N
SmilesC1(F)=NC=CC=C1
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MassMS-NW-5593 2-fluoropyridine C5H4FN (Mass of molecular ion: 97)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 3.3 27.0 1.0 28.0 1.6 31.0 3.3 37.0 2.4 38.0 2.6 39.0 7.9 44.0 2.7 46.0 2.6 48.0 1.1 48.5 1.0 49.0 2.3 50.0 8.4 51.0 10.0 52.0 5.5 57.0 10.5 68.0 2.6 69.0 6.6 70.0 51.5 71.0 6.2 75.0 1.3 76.0 4.6 77.0 4.0 78.0 2.2 96.0 7.4 97.0 100.0 98.0 5.8
90 MHz in CDCl3
parameter in CCl4
parameter neat
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1H NMR 89.56 MHz C5 H4 F N 0.04 ml : 0.5 ml CDCl3 2-fluoropyridine 
Assign. Shift(ppm)
A 8.230 B 7.784 C 7.182 D 6.934
Hz ppm Int.740.75 8.271 462 739.69 8.260 499 738.75 8.249 531 735.88 8.217 538 734.94 8.207 559 733.88 8.195 577 710.88 7.938 438 708.75 7.914 380 703.63 7.857 595 702.75 7.847 782 701.56 7.834 571 700.69 7.824 725 699.69 7.813 90 695.50 7.766 997 694.63 7.757 585 693.38 7.743 910 692.50 7.733 560 687.38 7.676 683 685.25 7.652 621 650.50 7.264 582 649.56 7.253 615 648.13 7.237 599 647.19 7.227 646 645.63 7.209 552 644.69 7.199 584 643.25 7.183 926 642.31 7.172 944 640.88 7.156 524 639.94 7.146 497 638.38 7.128 474 637.44 7.118 469 635.94 7.101 471 635.00 7.091 445 626.88 7.000 691 626.13 6.992 985 625.19 6.981 636 624.25 6.971 741 623.44 6.962 1000 622.56 6.952 624 618.69 6.909 556 617.88 6.900 784 617.00 6.890 535 616.00 6.879 606 615.25 6.870 820 614.31 6.860 523
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1H NMR 300 MHz C5 H4 F N 10 vol% in CCl4 2-fluoropyridine Parameter ppm Hz
D(A) 8.19 D(B) 7.15 D(C) 7.77 D(D) 6.88 J(A,B) 4.95 J(A,C) 2.10 J(A,D) 0.78 J(A,X) 0.0 J(B,C) 7.23 J(B,D) 0.91 J(B,X) 2.49 J(C,D) 8.23 J(C,X) 8.18 J(D,X) -2.85 SMITH,W.B. & ROARK,J.L. J.PHYS.CHEM. 73, 1049 (1969)
Hz ppm Int.2460.90 8.203 926 2460.18 8.201 970 2458.82 8.196 997 2458.09 8.194 972 2455.96 8.187 972 2455.23 8.184 992 2453.86 8.180 1000 2453.15 8.177 972 2343.99 7.813 371 2341.91 7.806 363 2336.74 7.789 505 2335.76 7.786 853 2334.66 7.782 556 2333.68 7.779 811 2328.52 7.762 859 2327.62 7.759 567 2326.43 7.755 875 2325.57 7.752 516 2320.34 7.734 429 2318.27 7.728 413 2152.70 7.176 470 2151.80 7.173 499 2150.30 7.168 481 2149.33 7.164 496 2147.74 7.159 503 2146.85 7.156 534 2145.39 7.151 887 2144.50 7.148 878 2143.08 7.144 510 2142.08 7.140 480 2140.51 7.135 461 2139.64 7.132 462 2138.13 7.127 456 2137.15 7.124 424 2070.27 6.901 552 2069.44 6.898 870 2068.61 6.895 610 2067.42 6.891 622 2066.63 6.889 916 2065.85 6.886 567 2062.11 6.874 533 2061.28 6.871 802 2060.45 6.868 568 2059.21 6.864 576 2058.41 6.861 855 2057.63 6.859 525
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1H NMR 300 MHz C5 H4 F N neat 2-fluoropyridine Parameter ppm Hz
D(A) 8.266 D(B) 7.217 D(C) 7.840 D(D) 6.998 D(X) -60.7 J(A,B) 4.88 J(A,C) 2.14 J(A,D) 0.81 J(A,X) 0.0 J(B,C) 7.16 J(B,D) 0.83 J(B,X) 2.49 J(C,D) 8.18 J(C,X) 8.19 J(D,X) -2.63 THOMAS,W.A. & GRIFFIN,G.E. ORG.MAGN.RESON. 2, 503 (1970) J(A,X):NOT EQUAL 0.
Hz ppm Int.2483.71 8.279 921 2482.94 8.276 967 2481.57 8.272 996 2480.82 8.269 975 2478.83 8.263 976 2478.07 8.260 994 2476.69 8.256 1000 2475.95 8.253 971 2364.95 7.883 374 2362.83 7.876 366 2357.77 7.859 500 2356.74 7.856 849 2355.65 7.852 554 2354.62 7.849 807 2349.59 7.832 854 2348.61 7.829 565 2347.45 7.825 873 2346.53 7.822 509 2341.42 7.805 433 2339.30 7.798 417 2172.67 7.242 486 2171.89 7.240 513 2170.28 7.234 492 2169.41 7.231 508 2167.80 7.226 518 2167.01 7.223 546 2165.45 7.218 907 2164.64 7.215 898 2163.13 7.210 517 2162.22 7.207 494 2160.65 7.202 474 2159.85 7.199 474 2158.25 7.194 466 2157.36 7.191 438 2105.49 7.018 567 2104.70 7.016 936 2103.90 7.013 644 2102.90 7.010 656 2102.12 7.007 960 2101.36 7.005 579 2097.39 6.991 544 2096.59 6.989 869 2095.77 6.986 593 2094.73 6.982 604 2093.94 6.980 894 2093.18 6.977 539
in CDCl3
liquid film
