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4-Chloro-2-nitro-toluene

View entire compound with spectra: 10 NMR, 6 FTIR, 1 Raman, and 4 MS (GC)

4-Chloro-2-nitro-toluene
SpectraBase Compound ID 2i1KAcQkvGK
InChI InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
InChIKey SQFLFRQWPBEDHM-UHFFFAOYSA-N
Mol Weight 171.58 g/mol
Molecular Formula C7H6ClNO2
Exact Mass 171.008706 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQuEXNe6BTM
Name 4-CHLORO-2-NITROTOLUENE
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Boiling Point 239-240C/718mm
CAS Registry Number 89-59-8
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6ClNO2
InChI InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
InChIKey SQFLFRQWPBEDHM-UHFFFAOYSA-N
Melting Point 38C
Molecular Weight 171.58
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms TOLUENE, 4-CHLORO-2-NITRO-,