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| CAS No.: | 1675-46-3 |
|---|---|
| Name: | 10-(3-Chloropropyl)-2-(trifluoromethyl)-10H-phenothiazine |
| Molecular Structure: | |
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| Formula: | C16H13ClF3NS |
| Molecular Weight: | 343.8 |
| Synonyms: | Phenothiazine,10-(3-chloropropyl)-2-(trifluoromethyl)- (6CI,7CI,8CI);10-(3-Chloropropyl)-2-trifluoromethylphenothiazine;2-Trifluoromethyl-10-(3-chloropropyl)phenothiazine;NSC 217918;g-(2-Trifluoromethyl-10-phenothiazinyl)propylchloride;10-(3-chloropropyl)-2-(trifluoromethyl)-10H-phenothiazine; |
| EINECS: | 216-821-4 |
| Density: | 1.345 g/cm3 |
| Boiling Point: | 427.8 °C at 760 mmHg |
| Flash Point: | 212.5 °C |
| PSA: | 28.54000 |
| LogP: | 6.00200 |
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Specification
The 10-(3-Chloropropyl)-2-(trifluoromethyl)-10H-phenothiazine, with the CAS registry number 1675-46-3, is also known as 10H-Phenothiazine, 10-(3-chloropropyl)-2-(trifluoromethyl)-. Its EINECS registry number is 216-821-4. This chemical's molecular formula is C16H13ClF3NS and molecular weight is 343.79. Its IUPAC name is called 10-(3-chloropropyl)-2-(trifluoromethyl)phenothiazine.
Physical properties of 10-(3-Chloropropyl)-2-(trifluoromethyl)-10H-phenothiazine: (1)ACD/LogP: 6.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.46; (4)ACD/LogD (pH 7.4): 6.46; (5)ACD/BCF (pH 5.5): 48106.66; (6)ACD/BCF (pH 7.4): 48106.66; (7)ACD/KOC (pH 5.5): 78181.69; (8)ACD/KOC (pH 7.4): 78181.69; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.577; (13)Molar Refractivity: 84.7 cm3; (14)Molar Volume: 255.5 cm3; (15)Surface Tension: 40.3 dyne/cm; (16)Density: 1.345 g/cm3; (17)Flash Point: 212.5 °C; (18)Enthalpy of Vaporization: 68.28 kJ/mol; (19)Boiling Point: 427.8 °C at 760 mmHg; (20)Vapour Pressure: 1.6E-07 mmHg at 25°C.
Uses of 10-(3-Chloropropyl)-2-(trifluoromethyl)-10H-phenothiazine: it can be used to produce 10-(3-πperazin-1-yl-propyl)-2-trifluoromethyl-10H-phenothiazine. This reaction will need reagent NaI.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)CCCCl
(2)InChI: InChI=1S/C16H13ClF3NS/c17-8-3-9-21-12-4-1-2-5-14(12)22-15-7-6-11(10-13(15)21)16(18,19)20/h1-2,4-7,10H,3,8-9H2
(3)InChIKey: BZEJZIAESDBOJX-UHFFFAOYSA-N