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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.)

functional group

iodo

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.[1] 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.[2]

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKBZ6057V
MKBT9362V
MKBL5204V
MKBG5113V
MKBF9778V

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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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