6-Fluoroindole - CAS 399-51-9
Catalog: |
BB024214 |
Product Name: |
6-Fluoroindole |
CAS: |
399-51-9 |
Synonyms: |
6-fluoro-1H-indole |
IUPAC Name: | 6-fluoro-1H-indole |
Description: | 6-Fluoroindole (CAS# 399-51-9) is a chemical inhibitor of Tryptophan (T947210)-dependent Indole-3-acetic acid biosynthesis in maize and Arabidopsis, a small flowering plant used for modelling plant systems and their genes. |
Molecular Weight: | 135.14 |
Molecular Formula: | C8H6FN |
Canonical SMILES: | C1=CC(=CC2=C1C=CN2)F |
InChI: | InChI=1S/C8H6FN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H |
InChI Key: | YYFFEPUCAKVRJX-UHFFFAOYSA-N |
Boiling Point: | 258 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.273 g/cm3 |
MDL: | MFCD00056933 |
LogP: | 2.30700 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113288897-A | Application of neobynine derivatives in preparation of drugs for treating gastric cancer | 20210613 |
CN-113024437-A | Preparation method of 4', 6-diamidino-2-phenylindole dihydrochloride | 20210319 |
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CN-112851708-A | Method for preparing olefine aldehyde by catalyzing terminal alkyne or terminal conjugated eneyne and diphosphine ligand used by method | 20210119 |
CN-112174938-A | 4-indole-2-aminopyrimidine compounds and application thereof | 20201027 |
PMID | Publication Date | Title | Journal |
15771548 | 20050323 | Ionization potentials of fluoroindoles and the origin of nonexponential tryptophan fluorescence decay in proteins | Journal of the American Chemical Society |
15163202 | 20040603 | Generation of new protein kinase inhibitors utilizing cytochrome p450 mutant enzymes for indigoid synthesis | Journal of medicinal chemistry |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.048427358 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.048427358 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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