6-(Trifluoromethyl)indoline - CAS 181513-29-1
Catalog: |
BB043100 |
Product Name: |
6-(Trifluoromethyl)indoline |
CAS: |
181513-29-1 |
Synonyms: |
6-(Trifluoromethyl)indoline; 6-Trifluoromethylindoline; 6-(trifluoromethyl)-1H-indoline |
IUPAC Name: | 6-(trifluoromethyl)-2,3-dihydro-1H-indole |
Description: | 6-(Trifluoromethyl)indoline (CAS# 181513-29-1 ) is a useful research chemical. |
Molecular Weight: | 187.16 |
Molecular Formula: | C9H8F3N |
Canonical SMILES: | C1CNC2=C1C=CC(=C2)C(F)(F)F |
InChI: | InChI=1S/C9H8F3N/c10-9(11,12)7-2-1-6-3-4-13-8(6)5-7/h1-2,5,13H,3-4H2 |
InChI Key: | WWBVZCBWSHFMLP-UHFFFAOYSA-N |
Boiling Point: | 221.4 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.264 g/cm3 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]; H411 (97.44%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P264, P270, P273, P301+P317, P330, P391, 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: | 187.06088375 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.06088375 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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