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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. 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

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

631264-25G:4548173995434
631264-BULK:
631264-VAR:
631264-5G:4548173995441

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Certificates of Analysis (COA)

Lot/Batch Number
MKBZ6057V
MKBT9362V
MKBL5204V
MKBG5113V
MKBF9778V

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"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)
"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)

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