7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline supplier

Name
7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
EINECS
CAS No. 199678-32-5
Article Data16
CAS DataBase
Density 1.213 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀F₃N
Boiling Point 228.91 °C at 760 mmHg
Molecular Weight 201.191
Flash Point 92.242 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;3-Pyridinemethanol,4-bromo-;
PSA 12.03000
LogP 3.48190

7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline Specification

The systematic name of this chemical is 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline. With the CAS registry number 199678-32-5, it is also named as isoquinoline, 1,2,3,4-tetrahydro-7-(trifluoromethyl)-. The product's category is Chiral Chemicals. The formula is C₁₀H₁₀F₃N and the molecular weight is 201.19.

The other characteristics of 7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline can be summarized as: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.93; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 10; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 46.75 cm³; (15)Molar Volume: 165.8 cm³; (16)Polarizability: 18.53×10^-24cm³; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 1.213 g/cm³; (19)Flash Point: 92.2 °C; (20)Enthalpy of Vaporization: 46.55 kJ/mol; (21)Boiling Point: 228.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0716 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)(F)c1ccc2c(c1)CNCC2
2. InChI:InChI=1/C10H10F3N/c11-10(12,13)9-2-1-7-3-4-14-6-8(7)5-9/h1-2,5,14H,3-4,6H2
3. InChIKey:NGQHLYGRTFVUEM-UHFFFAOYAO
4. Std. InChI:InChI=1S/C10H10F3N/c11-10(12,13)9-2-1-7-3-4-14-6-8(7)5-9/h1-2,5,14H,3-4,6H2
5. Std. InChIKey:NGQHLYGRTFVUEM-UHFFFAOYSA-N

Product Name

7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline Specification

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