6-Chloro-1,2,3,4-tetrahydroisoquinoline supplier

Name
6-Chloro-1,2,3,4-tetrahydroisoquinoline
EINECS -0
CAS No. 33537-99-4
Article Data11
CAS DataBase
Density 1.162 g/cm³
Solubility
Melting Point 189-191 °C(Solv: ethanol (64-17-5))
Formula C₉H₁₀ClN
Boiling Point 267.686 °C at 760 mmHg
Molecular Weight 167.638
Flash Point 115.693 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 6-Chloro-1,2,3,4-tetrahydroisoquinoline;
PSA 12.03000
LogP 2.31450

6-Chloro-1,2,3,4-tetrahydroisoquinoline Specification

This chemical is called 6-Chloro-1,2,3,4-tetrahydroisoquinoline, and it can also be named as Isoquinoline, 6-chloro-1,2,3,4-tetrahydro-. With the molecular formula of C₉H₁₀ClN, its molecular weight is 167.64. The CAS registry number of this chemical is 33537-99-4.

Other characteristics of the 6-Chloro-1,2,3,4-tetrahydroisoquinoline can be summarised as followings: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 12.03 Å²; (7)Index of Refraction: 1.56; (8)Molar Refractivity: 46.67 cm³; (9)Molar Volume: 144.247 cm³; (10)Polarizability: 18.502×10^-24cm³; (11)Surface Tension: 39.744 dyne/cm; (12)Density: 1.162 g/cm³; (13)Flash Point: 115.693 °C; (14)Enthalpy of Vaporization: 50.572 kJ/mol; (15)Boiling Point: 267.686 °C at 760 mmHg; (16)Vapour Pressure: 0.008 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccc2c(c1)CCNC2
2.InChI: InChI=1/C9H10ClN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2
3.InChIKey: NSURINBXOVVUNR-UHFFFAOYAY
4.Std. InChI: InChI=1S/C9H10ClN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2
5.Std. InChIKey: NSURINBXOVVUNR-UHFFFAOYSA-N

Product Name

6-Chloro-1,2,3,4-tetrahydroisoquinoline

6-Chloro-1,2,3,4-tetrahydroisoquinoline Specification

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