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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

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 Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

540447-25G:
540447-VAR:
540447-BULK:
540447-5G:4548173994758
540447-1G:

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Certificates of Analysis (COA)

Lot/Batch Number
17710MI

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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)
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)
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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