| Identification | |
| Name: | Isoquinoline,1,2,3,4-tetrahydro-7-nitro- |
| Synonyms: | 7-Nitro-1,2,3,4-tetrahydroisoquinoline; |
| CAS: | 42923-79-5 |
| Molecular Formula: | C9H10N2O2 |
| Molecular Weight: | 178.19 |
| InChI: | InChI=1/C9H10N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10H,3-4,6H2 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.236 g/cm3 |
| Refractive index: | 1.585 |
| Specification: |
The IUPAC name of 7-Nitro-1,2,3,4-tetrahydroisoquinoline is 7-nitro-1,2,3,4-tetrahydroisoquinoline. With the CAS registry number 42923-79-5, it is also named as Isoquinoline,1,2,3,4-tetrahydro-7-nitro-. The product's molecular formula is C9H10N2O2 and its molecular weight is 178.19. The other characteristics of 7-Nitro-1,2,3,4-tetrahydroisoquinoline can be summarized as: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)XLogP3-AA: 1.2; (4)H bond acceptors: 4; (5)H bond donors: 1; (6)Freely Rotating Bonds: 1; (7)Exact Mass: 178.074228; (8)MonoIsotopic Mass: 178.074228; (9)Heavy Atom Count: 13; (10)Complexity: 202; (11)Polar Surface Area: 49.06 Å2; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 48.32 cm3; (14)Molar Volume: 144.1 cm3; (15)Polarizability: 19.15×10-24cm3; (16)Surface Tension: 49.2 dyne/cm; (17)Density: 1.236 g/cm3; (18)Flash Point: 147.1 °C; (19)Enthalpy of Vaporization: 56.11 kJ/mol; (20)Boiling Point: 319.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000336 mmHg at 25 °C. People can use the following data to convert to the molecule structure. |
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