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199678-32-5

Basic Information
CAS No.: 199678-32-5
Name: Isoquinoline,1,2,3,4-tetrahydro-7-(trifluoromethyl)-
Article Data: 16
Cas Database
Molecular Structure:
Molecular Structure of 199678-32-5 (Isoquinoline,1,2,3,4-tetrahydro-7-(trifluoromethyl)-)
Formula: C10H10F3N
Molecular Weight: 201.191
Synonyms: 7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;3-Pyridinemethanol,4-bromo-;
EINECS: N/A
Density: 1.213 g/cm3
Melting Point: N/A
Boiling Point: 228.91 °C at 760 mmHg
Flash Point: 92.242 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 12.03000
LogP: 3.48190
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  • 7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

  • Casno:

    199678-32-5

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

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    Cool Pharm, a High and New Technology company,is a supplier of fine chemicals, building blocks and pharmaceutical intermediates which located in Chuansha Economic Park in Shanghai, P.R. China. Storage:Store in cool place. Keep container tightly close

    Cool Pharm, a High and New Technology company,is a supplier of fine chemicals, building blocks and pharmaceutical intermediates which located in Ch

  • coolpharm Ltd

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    Address:Shanghai China

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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