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35764-73-9

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Basic Information
CAS No.: 35764-73-9
Name: Fluotracene
Molecular Structure:
Molecular Structure of 35764-73-9 (Fluotracene)
Formula: C21H24 F3 N
Molecular Weight: 347.423
Synonyms: 9-Anthracenepropanamine,9,10-dihydro-N,N,10-trimethyl-2-(trifluoromethyl)-, cis-(?à)-; Fluotracen; SKF 28175
Density: 1.106g/cm3
Boiling Point: 385.1°Cat760mmHg
Flash Point: 186.7°C
Safety: Poison by ingestion. An antipsychotic agent. When heated to decomposition it emits very toxic fumes of F− and NOx.
PSA: 3.24000
LogP: 5.64430
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    9-Anthracenepropanamine,9,10-dihydro-N,N,10-trimethyl-2-(trifluoromethyl)-, (9R,10S)-rel-

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Chemistry

IUPAC Name: N,N-Dimethyl-3-[(9R,10S)-10-methyl-2-(trifluoromethyl)-9,10-dihydroanthracen-9-yl]propan-1-amine 
Following is the structure of Fluotracen (CAS NO.35764-73-9):
               
Empirical Formula: C21H24F3N
Molecular Weight: 347.4172 g/mol
Surface Tension: 33 dyne/cm
Density: 1.106 g/cm3
Flash Point: 186.7 °C
Enthalpy of Vaporization: 63.39 kJ/mol
Boiling Point: 385.1 °C at 760 mmHg
Vapour Pressure: 3.89E-06 mmHg at 25 °C
Index of Refraction of Fluotracen (CAS NO.35764-73-9): 1.517
Canonical SMILES: CC1C2=C(C=C(C=C2)C(F)(F)F)C(C3=CC=CC=C13)CCCN(C)C
Isomeric SMILES: C[C@@H]1C2=C(C=C(C=C2)C(F)(F)F)[C@@H](C3=CC=CC=C13)CCCN(C)C
InChI: InChI=1S/C21H24F3N/c1-14-16-7-4-5-8-18(16)19(9-6-12-25(2)3)20-13-15(21(22,23)24)10-11-17(14)20/h4-5,7-8,10-11,13-14,19H,6,9,12H2,1-3H3/t14-,19+/m0/s1
InChIKey: JTAJFHGSVCEPKC-IFXJQAMLSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:487 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 27 (1977),1589.
2.    

orl-mus LD50:353 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 27 (1977),1589.

Safety Profile

Poison by ingestion. An antipsychotic agent. When heated to decomposition, Fluotracen (CAS NO.35764-73-9) emits very toxic fumes of F− and NOx.

Specification

 Fluotracen , its cas register number is 35764-73-9. It also can be called Fluotracene ; Fluotraceno ; and Fluotracenum .