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Merck
CN

540447

Sigma-Aldrich

4-Iodo-3-nitrotoluene

98%

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About This Item

Linear Formula:
IC6H3(CH3)NO2
CAS Number:
5326-39-6
Molecular Weight:
263.03
MDL number:
MFCD00024196
UNSPSC Code:
12352100
PubChem Substance ID:
24878469
NACRES:
NA.22

Key Documents

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Assay

98%

mp

53-56 °C (lit.)

SMILES string

Cc1ccc(I)c(c1)[N+]([O-])=O

InChI

1S/C7H6INO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3

InChI key

DKYCDXAZCHMPSJ-UHFFFAOYSA-N

General description

4-Iodo-3-nitrotoluene can be prepared from 4-amino-3-nitrotoluene according to the procedure described by Carlin and Foltz.

Application

4-Iodo-3-nitrotoluene may be used in the preparation of:
  • 3-cyano-4-iodotoluene
  • 4,6′-dimethyl-2 ,2′-dinitrobiphenyl
  • bis(2-nitro-4-methylphenyl) sulfide

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
17710MI

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A kinetic study of the N-bromosuccinimide bromination of some 4-substituted 3-cyanotoluenes.
Fisher TH and Meierhoefer AW.
The Journal of Organic Chemistry, 43(2), 220-224 (1978)
The action of sulfur upon para-toluidine in the presence of litharge. Thio-para-toluidine, its constitution and some new derivatives.
Bogert MT and Mandelbaum MR.
Journal of the American Chemical Society, 45(12), 3045-3055 (1923)
Ullmann Synthesis of Six Dimethyldinitrobiphenyls and their Reduction to the Corresponding Diaminodimethylbiphenyls1.
Carlin RB and Foltz GE.
Journal of the American Chemical Society, 78(9), 1997-2000 (1956)

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