Benzene, 1-(chloromethyl)-4-nitro-

• Formula: C₇H₆ClNO₂
• Molecular weight: 171.581
• IUPAC Standard InChI: InChI=1S/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2 Copy

  
• IUPAC Standard InChIKey: KGCNHWXDPDPSBV-UHFFFAOYSA-N Copy
• CAS Registry Number: 100-14-1
• Chemical structure:
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• Other names: Toluene, α-chloro-p-nitro-; α-Chloro-p-nitrotoluene; p-Nitrobenzyl chloride; 1-(Chloromethyl)-4-nitrobenzene; 4-(Chloromethyl)nitrobenzene; 4-Nitrobenzyl chloride; p-(Chloromethyl)nitrobenzene; Toluene, alpha-chloro-p-nitro; NSC 9803; α-chloro-4-nitrotoluene
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• Information on this page:
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • References
  • Notes
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IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• SOLID (2.0 mg / 300 mg KBr DISC); PERKIN-ELMER 521 (GRATING); 2 cm^-1 resolution
• SOLUTION (10% IN CCl4 FOR 3800-1300, 10% IN CS2 FOR 1300-650, AND 10% IN CCl4 FOR 650-250 CM^-1) VERSUS SOLVENT; Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas; HP-GC/MS/IRD

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

UV/Visible spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Doleib and Iskander, 1967
Doleib, D.M.; Iskander, Y., The influence of the nitro-group upon side-chain reactivity. Part IV. The inhibition of α-proton extraction from 4-nitrobenzyl chloride by the steric effect of methyl groups in the 3- and 5-positions, J. Chem. Soc. B:, 1967, 1154-1158. [all data]

Notes

Go To: Top, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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