Product Name2-Chloroaniline
CAS95-51-2
Molecular FormulaC6H6ClN
Molecular Weight127.57
InChIInChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
InChIKey AKCRQHGQIJBRMN-UHFFFAOYSA-N
SmilesC1(N)=CC=CC=C1Cl
Mass
MS-NW-8470 o-chloroaniline C6H6ClN (Mass of molecular ion: 127)
Source Temperature: 260 °C Sample Temperature: 130 °C Reservoir, 75 eV
28.0 3.0 37.0 2.5 38.0 4.5 39.0 8.4 40.0 1.3 41.0 4.3 42.0 1.4 44.5 1.2 45.5 5.1 50.0 1.8 51.0 1.9 52.0 6.0 61.0 1.8 62.0 3.0 63.0 8.4 63.5 2.6 64.0 11.6 65.0 24.3 66.0 3.1 73.0 3.0 74.0 1.2 75.0 2.0 90.0 2.6 91.0 9.1 92.0 20.2 93.0 1.7 99.0 4.5 100.0 6.8 101.0 2.2 102.0 2.2 126.0 1.4 127.0 100.0 128.0 7.4 129.0 32.2 130.0 2.2
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C6 H6 Cl N | 0.04 ml : 0.5 ml CDCl3 |
o-chloroaniline |
Assign. Shift(ppm) |
Hz ppm Int.
651.75 7.278 367 650.94 7.269 393 650.19 7.260 538 649.81 7.256 471 644.31 7.195 399 643.56 7.186 470 642.38 7.173 746 642.00 7.169 670 639.25 7.138 309 637.69 7.121 281 632.56 7.063 353 630.81 7.044 558 629.63 7.031 503 624.13 6.969 699 622.56 6.952 578 606.13 6.768 472 605.19 6.758 1000 604.38 6.749 903 603.81 6.742 997 602.06 6.723 230 598.06 6.678 417 597.06 6.667 787 596.44 6.660 917 595.38 6.648 396 594.69 6.641 383 589.31 6.581 309 587.63 6.562 251 350.81 3.918 337
in CDCl3
CCl4 solution
liquid film
OXIDATION WITH PERBENZOIC ACID
2-Chloroaniline(95-51-2) IR1 Atlas of Related Products
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