631264
3-Iodo-4-methylaniline
97%
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About This Item
Linear Formula:
IC6H3(CH3)NH2
CAS Number:
Molecular Weight:
233.05
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
252-803-2
MDL number:
Assay:
97%
Form:
solid
InChI key
RRUDMHNAMZFNEK-UHFFFAOYSA-N
InChI
1S/C7H8IN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
SMILES string
Cc1ccc(N)cc1I
assay
97%
form
solid
mp
37-41 °C (lit.)
functional group
iodo
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.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Eye Dam. 1 - Skin Sens. 1
Storage Class
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
ppe
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Regulatory Information
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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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