2-Chloro-4-nitrophenol(619-08-9) MS
Product Name2-Chloro-4-nitrophenol
CAS619-08-9
Molecular FormulaC6H4ClNO3
Molecular Weight173.55
InChIInChI=1S/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H
InChIKey BOFRXDMCQRTGII-UHFFFAOYSA-N
SmilesC1(O)=CC=C([N+]([O-])=O)C=C1Cl
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MassMS-NW-1822 2-chloro-4-nitrophenol C6H4ClNO3 (Mass of molecular ion: 173)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.1 16.0 1.0 17.0 3.8 18.0 15.4 25.0 2.2 26.0 6.0 27.0 3.6 28.0 4.3 29.0 5.3 30.0 30.2 31.0 1.8 35.0 1.2 36.0 2.5 37.0 14.8 38.0 17.3 39.0 21.3 40.0 1.0 41.0 1.0 42.0 1.6 44.0 1.6 46.0 3.6 47.0 2.0 48.0 1.5 49.0 5.9 50.0 12.1 51.0 27.6 52.0 7.7 53.0 42.2 54.0 3.2 55.0 2.3 60.0 4.8 61.0 19.8 62.0 42.0 63.0 100.0 64.0 13.3 65.0 2.3 66.0 4.0 72.0 4.6 73.0 48.4 74.0 9.9 75.0 15.6 76.0 1.6 77.0 1.5 78.0 1.9 79.0 28.2 80.0 3.2 84.0 2.0 85.0 1.3 86.0 1.9 87.0 5.0 89.0 2.5 90.0 2.4 91.0 40.0 92.0 7.7 96.0 1.3 97.0 4.4 98.0 3.4 99.0 74.3 100.0 5.3 101.0 22.8 102.0 1.4 107.0 50.1 108.0 4.2 115.0 6.9 117.0 2.2 121.0 1.5 126.0 4.0 127.0 18.4 128.0 2.5 129.0 5.7 143.0 81.1 144.0 5.7 145.0 26.4 146.0 1.6 157.0 3.8 159.0 1.3 173.0 63.4 174.0 4.6 175.0 20.3 176.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H4 Cl N O3 0.042 g : 0.5 ml CDCl3 2-chloro-4-nitrophenol 
Assign. Shift(ppm)
A 8.224 B 8.09 C 7.148
Hz ppm Int.
DMSO-d6
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
