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| CAS No.: | 447-53-0 |
|---|---|
| Name: | 1,2-DIHYDRONAPHTHALENE |
| Molecular Structure: | |
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| Formula: | C10H10 |
| Molecular Weight: | 130.189 |
| Synonyms: | 1,2-Dialin;1,2-Dihydronaphthalene;Dialin;NSC 28463;D1-Dialin; |
| EINECS: | 207-183-8 |
| Density: | 1.004g/cm3 |
| Melting Point: | -8 °C(lit.) |
| Boiling Point: | 204.943 °C at 760 mmHg |
| Flash Point: | 70.35 °C |
| Solubility: | Not miscible or difficult to mix with water. |
| Appearance: | Clear light yellow to slightly brown liquid |
| Safety: | 24/25 |
| PSA: | 0.00000 |
| LogP: | 2.64600 |
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Specification
The Naphthalene,1,2-dihydro-, with CAS registry number 447-53-0, belongs to the following product categories: (1)Alpha Sort; (2)Analytical Standards; (3)AromaticsVolatiles/ Semivolatiles; (4)Chemical Class; (5)Hydrocarbons; (6)Naphthalenes Chemical Class; (7)Arenes; (8)Building Blocks; (9)Organic Building Blocks. It has the systematic name of 1,2-dihydronaphthalene. And its classification code is Skin / Eye Irritant. This chemical is a kind of clear light yellow to slightly brown liquid. When use it, avoid contact with skin and eyes.
Physical properties of Naphthalene,1,2-dihydro-: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.782; (4)ACD/LogD (pH 7.4): 3.782; (5)ACD/BCF (pH 5.5): 440.706; (6)ACD/BCF (pH 7.4): 440.706; (7)ACD/KOC (pH 5.5): 2718.227; (8)ACD/KOC (pH 7.4): 2718.227; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 42.643 cm3; (15)Molar Volume: 129.556 cm3; (16)Polarizability: 16.905×10-24cm3; (17)Surface Tension: 39.558 dyne/cm; (18)Density: 1.005 g/cm3; (19)Flash Point: 70.35 °C; (20)Enthalpy of Vaporization: 42.316 kJ/mol; (21)Boiling Point: 204.943 °C at 760 mmHg; (22)Vapour Pressure: 0.367 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,2,3,4-tetrahydro-naphthalen-1-ol. This reaction will need reagent CuSO4. The yield is about 66%.
Uses of Naphthalene,1,2-dihydro-: it can be used to produce naphthalene. This reaction will need reagent methyl viologen-supported zeolite Na-Y and solvent hexane. The reaction time is 30 min. The yield is about 30%.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)CCC=C2
(2)InChI: InChI=1/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-7H,4,8H2
(3)InChIKey: KEIFWROAQVVDBN-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-7H,4,8H2
(5)Std. InChIKey: KEIFWROAQVVDBN-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 16mL/kg (16mL/kg) | Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. | |
| rat | LD50 | oral | 2830uL/kg (2.83mL/kg) | Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. |