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About This Item
Linear Formula:
CH3C6H3(NO2)F
CAS Number:
Molecular Weight:
155.13
Beilstein:
2502584
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
Recommended Products
Assay
99%
form
solid
bp
97-98 °C/3 mmHg (lit.)
mp
52-55 °C (lit.)
functional group
fluoro
nitro
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].
Signal Word
Warning
Hazard Statements
Precautionary Statements
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 Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
230.0 °F - closed cup
Flash Point(C)
110 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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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