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| CAS No.: | 569-41-5 |
|---|---|
| Name: | 1,8-DIMETHYLNAPHTHALENE |
| Article Data: | 29 |
| Molecular Structure: | |
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|
|
| Formula: | C12H12 |
| Molecular Weight: | 156.227 |
| Synonyms: | 1,8-Dimethylnaphthalene; |
| EINECS: | 209-314-4 |
| Density: | 1 g/cm3 |
| Melting Point: | 59-61 °C(lit.) |
| Boiling Point: | 270.6 °C at 760 mmHg |
| Flash Point: | 115.3 °C |
| Appearance: | off-white to orange-beige crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 22-24/25 |
| PSA: | 0.00000 |
| LogP: | 3.45660 |
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- Total:22 Page 1 of 1 1
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Specification
The CAS register number of Naphthalene,1,8-dimethyl- is 569-41-5. The IUPAC name about this chemical is 1,8-dimethylnaphthalene. The molecular formula about this chemical is C12H12 and the molecular weight is 156.22. It belongs to the following product categories which include Naphthalene derivatives; Alpha Sort; Analytical Standards; AromaticsVolatiles/ Semivolatiles; Chemical Class; D; DAlphabetic; DID - DINAnalytical Standards; Hydrocarbons; NaphthalenesChemical Class; NeatsAnalytical Standards; PAHsMore...Close...; Arenes; Building Blocks; Organic Building Blocks and so on.
Physical properties about Naphthalene,1,8-dimethyl- are: (1)ACD/LogP: 4.37; (2)ACD/LogD (pH 5.5): 4.37; (3)ACD/LogD (pH 7.4): 4.37; (4)ACD/BCF (pH 5.5): 1231.81; (5)ACD/BCF (pH 7.4): 1231.81; (6)ACD/KOC (pH 5.5): 5672.96; (7)ACD/KOC (pH 7.4): 5672.96; (8)Index of Refraction: 1.604; (9)Molar Refractivity: 53.74 cm3; (10)Molar Volume: 156 cm3; (11)Polarizability: 21.3x10-24cm3; (12)Surface Tension: 37.5 dyne/cm; (13)Flash Point: 115.3 °C; (14)Enthalpy of Vaporization: 48.83 kJ/mol; (15)Boiling Point: 270.6 °C at 760 mmHg; (16)Vapour Pressure: 0.0112 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,8-bis-hydroxymethyl-naphthalene at heating. This reaction will also produce 1-hydroxymethyl-8-methylnaphthalene and (1a,7b-dihydro-1H-cyclopropa[a]naphthalen-7-yl)-methanol. It will need reagent LiAlH4 and solvent tetrahydrofuran. The reaction time is 6 day(s). The yield is about 30%.
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Uses of Naphthalene,1,8-dimethyl-: it can be used to produce 1,7-dimethyl-naphthalene at temperature of 70 ℃. This reaction will need reagent 2.3 molpercent CF3SO3H and solvent trifluoroacetic acid with reaction time of 28 day(s).
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When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. When you are using it, please do not breathe dust and avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: c1(cccc2cccc(c12)C)C
(2)InChI: InChI=1/C12H12/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3-8H,1-2H3
(3)InChIKey: XAABPYINPXYOLM-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C12H12/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3-8H,1-2H3
(5)Std. InChIKey: XAABPYINPXYOLM-UHFFFAOYSA-N