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| CAS No.: | 149355-52-2 |
|---|---|
| Name: | 7-CYANO-1,2,3,4-TETRAHYDROISOQUINOLINE |
| Molecular Structure: | |
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| Formula: | C10H10N2 |
| Molecular Weight: | 158.203 |
| Synonyms: | 1,2,3,4-Tetrahydroisoquinoline-7-carbonitrile; |
| Density: | 1.148 g/cm3 |
| Boiling Point: | 301.519 °C at 760 mmHg |
| Flash Point: | 136.154 °C |
| Hazard Symbols: | R20/21/22:; |
| Risk Codes: | 20/21/22 |
| Safety: | 22-36/37/39 |
| Transport Information: | UN 3439 |
| PSA: | 35.82000 |
| LogP: | 1.53278 |
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Specification
The 7-Isoquinolinecarbonitrile,1,2,3,4-tetrahydro- is an organic compound with the formula C10H10N2. The IUPAC name of this chemical is 1,2,3,4-Tetrahydroisoquinoline-7-carbonitrile. With the CAS registry number 149355-52-2, it is also named as 7-Cyano-1,2,3,4-tetrahydroisoquinoline. Besides, its molecular weight is 158.2.
Physical properties about 7-Isoquinolinecarbonitrile,1,2,3,4-tetrahydro- are: (1)ACD/LogP: 1.17; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)Polar Surface Area: 35.82 Å2; (5)Index of Refraction: 1.595; (6)Molar Refractivity: 46.81 cm3; (7)Molar Volume: 137.754 cm3; (8)Polarizability: 18.557×10-24 cm3; (9)Surface Tension: 51.17 dyne/cm; (10)Density: 1.148 g/cm3; (11)Flash Point: 136.154 °C; (12)Enthalpy of Vaporization: 54.167 kJ/mol; (13)Boiling Point: 301.519 °C at 760 mmHg; (14)Vapour Pressure: 0.001 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H10N2/c11-6-8-1-2-9-3-4-12-7-10(9)5-8/h1-2,5,12H,3-4,7H2
(2)InChIKey: LJFNUFCUPDECPC-UHFFFAOYAL
(3)Std. InChI: InChI=1S/C10H10N2/c11-6-8-1-2-9-3-4-12-7-10(9)5-8/h1-2,5,12H,3-4,7H2
(4)Std. InChIKey: LJFNUFCUPDECPC-UHFFFAOYSA-N