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| CAS No.: | 875-62-7 |
|---|---|
| Name: | NAPHTHALENE-1-D1 |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C10H7D |
| Molecular Weight: | 129.166 |
| Synonyms: | 1-Deuterionaphthalene;1-Deuteronaphthalene; |
| Density: | 1.045 g/cm3 |
| Boiling Point: | 221.5 °C at 760 mmHg |
| Flash Point: | 78.9 °C |
| PSA: | 0.00000 |
| LogP: | 2.83980 |
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Specification
This chemical is called Naphthalene-1-d, and its systematic name is (1-2H)naphthalene. With the molecular formula of C10H7D, its molecular weight is 129.18. The CAS registry number of this chemical is 875-62-7.
Other characteristics of the Naphthalene-1-d can be summarised as followings: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.45; (4)ACD/LogD (pH 7.4): 3.45; (5)ACD/BCF (pH 5.5): 246.16; (6)ACD/BCF (pH 7.4): 246.16; (7)ACD/KOC (pH 5.5): 1791.62; (8)ACD/KOC (pH 7.4): 1791.62; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.632; (13)Molar Refractivity: 44.09 cm3; (14)Molar Volume: 123.5 cm3; (15)Polarizability: 17.48×10-24cm3; (16)Surface Tension: 40.2 dyne/cm; (17)Density: 1.045 g/cm3; (18)Flash Point: 78.9 °C; (19)Enthalpy of Vaporization: 43.93 kJ/mol; (20)Boiling Point: 221.5 °C at 760 mmHg; (21)Vapour Pressure: 0.159 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [2H]c2cccc1ccccc12
2.InChI: InChI=1/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i5D
3.InChIKey: UFWIBTONFRDIAS-UICOGKGYEY