2-Bromoaniline(615-36-1) MS
Product Name2-Bromoaniline
CAS615-36-1
Molecular FormulaC6H6BrN
Molecular Weight172.02
InChIInChI=1S/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
InChIKey AOPBDRUWRLBSDB-UHFFFAOYSA-N
SmilesC1(N)=CC=CC=C1Br
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MassMS-NW-8695 o-bromoaniline C6H6BrN (Mass of molecular ion: 171)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.1 28.0 4.1 37.0 4.0 38.0 7.7 39.0 15.1 40.0 2.2 41.0 4.9 42.0 2.0 44.5 2.6 45.5 14.8 46.0 2.5 50.0 3.0 51.0 2.5 52.0 8.8 53.0 1.0 61.0 2.6 62.0 4.7 63.0 11.8 64.0 11.9 65.0 61.7 66.0 8.4 74.0 1.5 75.0 1.4 85.5 5.0 86.5 4.9 90.0 3.1 91.0 11.5 92.0 61.6 93.0 11.2 117.0 1.0 119.0 1.1 127.0 2.8 143.0 1.5 145.0 1.5 171.0 100.0 172.0 7.5 173.0 97.9 174.0 7.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H6 Br N 0.045 g : 0.5 ml CDCl3 o-bromoaniline 
Assign. Shift(ppm)
A 7.385 B 7.075 C 6.734 D 6.607 E 4.01 J(A,B)=1.5HZ. J(A,C)=0.3HZ. J(A,D)=7.9HZ. J(B,C)=8.1HZ. J(B,D)=7.1HZ. J(C,D)=1.7HZ.
Hz ppm Int.666.75 7.445 527 666.44 7.442 528 665.25 7.428 657 658.94 7.358 626 658.56 7.354 624 657.38 7.341 807 643.31 7.184 339 641.81 7.167 329 636.25 7.105 460 635.25 7.094 564 634.69 7.087 483 633.81 7.077 557 628.19 7.015 718 626.69 6.998 656 607.38 6.782 641 606.06 6.768 1000 599.38 6.693 557 598.69 6.685 868 598.00 6.678 656 597.00 6.666 586 591.63 6.606 524 590.88 6.598 618 589.94 6.588 486 589.19 6.579 491 583.69 6.518 402 582.00 6.499 356 358.94 4.008 953
in CDCl3
liquid film
OXIDATION WITH PERBENZOIC ACID
