6-(Trifluoromethyl)indole - CAS 13544-43-9
Catalog: |
BB046655 |
Product Name: |
6-(Trifluoromethyl)indole |
CAS: |
13544-43-9 |
Synonyms: |
6-Trifluoromethylindole; 6-Trifluoromethyl-1H-indole; 1H-Indole, 6-(trifluoromethyl)- |
IUPAC Name: | 6-(trifluoromethyl)-1H-indole |
Description: | 6-(Trifluoromethyl)indole (CAS# 13544-43-9 ) is a useful research chemical. |
Molecular Weight: | 185.15 |
Molecular Formula: | C9H6F3N |
Canonical SMILES: | C1=CC(=CC2=C1C=CN2)C(F)(F)F |
InChI: | InChI=1S/C9H6F3N/c10-9(11,12)7-2-1-6-3-4-13-8(6)5-7/h1-5,13H |
InChI Key: | BPYBYPREOVLFED-UHFFFAOYSA-N |
Boiling Point: | 256.7 °C at 760 mmHg |
Melting Point: | 101 °C |
Purity: | ≥ 97 % |
Density: | 1.367±0.06 g/cm3 (Predicted) |
Solubility: | Insoluble in water |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.04523368 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.04523368 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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