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78832-54-9

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Basic Information
CAS No.: 78832-54-9
Name: 2-NAPHTHOL-1,3,4,5,6,7,8-D7
Molecular Structure:
Molecular Structure of 78832-54-9 (2-NAPHTHOL-1,3,4,5,6,7,8-D7)
Formula: C10HD7O
Molecular Weight: 151.117
Synonyms: 2-Naphthalen-d7-ol;
Density: 1.239g/cm3
Melting Point: 120-122 °C(lit.)
Boiling Point: 285.5 °C at 760 mmHg
Flash Point: 144 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/37/38
Safety: 26-36
PSA: 20.23000
LogP: 2.54540
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Specification

The 2-Naphthalen-1,3,4,5,6,7,8-d7-ol, with the CAS registry number of 78832-54-9, is also known as 2-Naphthalen-d7-ol. It belongs to the product categories of Alphabetical Listings; N-O; Stable Isotopes. Its molecular formula is C10HD7O and molecular weight is 151.21. What's more, its systematic name is (2H7)naphthalen-2-ol.

Physical properties about the 2-Naphthalen-1,3,4,5,6,7,8-d7-ol are: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 67.86; (6)ACD/BCF (pH 7.4): 67.41; (7)ACD/KOC (pH 5.5): 712.28; (8)ACD/KOC (pH 7.4): 707.56; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 45.97 cm3; (15)Molar Volume: 121.9 cm3; (16)Surface Tension: 51 dyne/cm; (17)Density: 1.239 g/cm3; (18)Flash Point: 144 °C; (19)Enthalpy of Vaporization: 54.56 kJ/mol; (20)Boiling Point: 285.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00162 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce [1,1']Binaphthalenyl-2,2'-diol. This reaction needs reagent O2. The reaction time is 4 h with reaction temperature of 99.85 °C. The yield is about 51 %.

The 2-Naphthalen-1,3,4,5,6,7,8-d7-ol are can react with Naphthalen-2-ol to get [1,1']Binaphthalenyl-2,2'-diol

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. It is harmful if swallowed. In addition, during using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]c2c1c([2H])c([2H])c([2H])c([2H])c1c([2H])c([2H])c2O
(2) InChI: InChI=1/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H/i1D,2D,3D,4D,5D,6D,7D
(3) InChIKey: JWAZRIHNYRIHIV-GSNKEKJEER