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283363

Sigma-Aldrich

3-Fluoro-4-nitrotoluene

99%

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About This Item

Linear Formula:
CH3C6H3(NO2)F
CAS Number:
446-34-4
Molecular Weight:
155.13
Beilstein/REAXYS Number:
2502584
EC Number:
207-166-5
MDL number:
MFCD00007053
UNSPSC Code:
12352100
PubChem Substance ID:
24857103

assay

99%

form

solid

bp

97-98 °C/3 mmHg (lit.)

mp

52-55 °C (lit.)

SMILES string

Cc1ccc(c(F)c1)[N+]([O-])=O

InChI

1S/C7H6FNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3

InChI key

WZMOWQCNPFDWPA-UHFFFAOYSA-N

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Application

3-Fluoro-4-nitrotoluene has been used in the preparation of IκB kinase (IKK) inhibitor, BMS [N1-(1,8-dimethylimidazo[1,2-a]quinolin-4-yl)-ethane-1,2-diamine].

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Tomoko Hayashi et al.
Proceedings of the National Academy of Sciences of the United States of America, 104(47), 18619-18624 (2007-11-16)
3-Hydroxyanthranilic acid (HAA), a compound generated during tryptophan metabolism initiated by indoleamine 2,3-dioxygenase, is known to induce T cell death, but its molecular target is not known. Here we report that HAA inhibits NF-kappaB activation upon T cell antigen receptor

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