Benzonitrile,4-iodo-3-nitro-

CAS

101420-79-5

Catalog Number

ACM101420795

Category

Other Products

Molecular Weight

274.015

Molecular Formula

C₇H₃IN₂O₂

MSDS COA Spec Sheet

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Specification

Synonyms

4-Iodo-3-nitrobenzonitrile, 101420-79-5, 4-Iodo-3-nitro-benzonitrile, Benzonitrile,4-iodo-3-nitro-, ACMC-20a4pv, AGN-PC-01MGBG, SureCN5358509, Benzonitrile, 4-iodo-3-nitro-, CTK3J9779, 1-Cyano-3-nitro-4-iodobenzene;, MolPort-005-937-663, ANW-57041, ZINC21990576, AKOS015909772, AG-D-08253, LS10160, AC-18766, AK-79743, BD237546, KB-72593

IUPAC Name

4-iodo-3-nitrobenzonitrile

Canonical SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])I

InChI Key

PZAMZPVQVFOYHP-UHFFFAOYSA-N

Boiling Point

330.7ºC at 760 mmHg

Flash Point

153.8ºC

Density

2.07g/cm³

Appearance

White solid

Exact Mass

273.92400

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

3058-39-7

101420-79-5

Reference: [1]Sapountzis, Ioannis; Dube, Henry; Lewis, Robert; Gommermann, Nina; Knochel, Paul
[Journal of Organic Chemistry, 2005, vol. 70, # 7, p. 2445 - 2454]
[2]Miller et al.
[Journal of the American Chemical Society, 1957, vol. 79, p. 93]

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