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631264

Sigma-Aldrich

3-Iodo-4-methylaniline

97%

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About This Item

Linear Formula:
IC6H3(CH3)NH2
CAS Number:
35944-64-0
Molecular Weight:
233.05
EC Number:
252-803-2
MDL number:
MFCD00047843
UNSPSC Code:
12352100
PubChem Substance ID:
24882402
NACRES:
NA.22

Assay

97%

form

solid

mp

37-41 °C (lit.)

SMILES string

Cc1ccc(N)cc1I

InChI

1S/C7H8IN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3

InChI key

RRUDMHNAMZFNEK-UHFFFAOYSA-N

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Application

3-Iodo-4-methylaniline can undergo reaction with paraformaldehyde to give the corresponding dihalo-substituted analogs of Troger′s base. It can be also be used in the synthesis of BIRB 796 (1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)naphthalen-1-yl]urea), a promising agent for the treatment of inflammatory diseases.

Pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

Signal Word

Danger

Hazard Statements

H301,H317,H318

Hazard Classifications

Acute Tox. 3 Oral - Eye Dam. 1 - Skin Sens. 1

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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"Synthesis of Dihalo-Substituted Analogues of Troger?s Base from ortho-and meta-Substituted Anilines"
Hansson A, et al.
European Journal of Organic Chemistry, 2003(16), 3179-3188 (2003)
"Synthesis of deuterium, tritium, and carbon-14 labeled BIRB 796, a p38 MAP kinase inhibitor"
Latli B
Journal of Labelled Compounds & Radiopharmaceuticals, 47(12), 847-856 (2004)

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