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| CAS No.: | 321-38-0 |
|---|---|
| Name: | 1-Fluoronaphthalene |
| Molecular Structure: | |
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| Formula: | C10H7F |
| Molecular Weight: | 146.164 |
| Synonyms: | 1-Fluoronaphthalene;NSC 4690;a-Fluoronaphthalene; |
| EINECS: | 206-287-0 |
| Density: | 1.144 g/cm3 |
| Melting Point: | -13 °C(lit.) |
| Boiling Point: | 215 °C at 760 mmHg |
| Flash Point: | 65.6 °C |
| Solubility: | Not miscible or difficult to mix in water. |
| Appearance: | clear slightly yellow to yellow-brown liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 23/24/25-36/37/38-63-43-45 |
| Safety: | 23-24/25-26-36/37-53 |
| Transport Information: | UN 2810 |
| PSA: | 0.00000 |
| LogP: | 2.97890 |
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Specification
The 1-Fluoronaphthalene, with its CAS registry number 321-38-0, has the systematic name of Naphthalene, 1-fluoro-. And it is usually used as the organic reagent and pharmaceutical intermediate.
The physical properties of this chemical are as below: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 3.5; (5)ACD/BCF (pH 5.5): 269.48; (6)ACD/BCF (pH 7.4): 269.48; (7)ACD/KOC (pH 5.5): 1911.52; (8)ACD/KOC (pH 7.4): 1911.52; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 44.08 cm3; (15)Molar Volume: 127.7 cm3; (16)Polarizability: 17.47×10-24 cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.144 g/cm3; (19)Flash Point: 65.6 °C; (20)Enthalpy of Vaporization: 43.29 kJ/mol; (21)Boiling Point: 215 °C at 760 mmHg; (22)Vapour Pressure: 0.221 mmHg at 25°C; (23)Exact Mass: 146.053178; (24)MonoIsotopic Mass: 146.053178; (25)Heavy Atom Count: 11; (26)Complexity: 133.
Production method of this chemical: 1-[1]naphthyl-ethanol could react to produce 1-Fluoronaphthalene. This reaction could happen in the presence of the reagent of CsSO4F and the solvent of acetonitrile.
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Use of this chemical: 1-Fluoronaphthalene could react to produce 3-fluoro-1,2-benzenedicarboxylic acid. This reaction could happen in the presence of the reagent of KMnO4 with its yield of 47%.
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When you are dealing with this kind of chemical, you should be cautious. For one thing, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. And it may cause sensitization by skin contact and have possible risk of harm to the unborn child. For another thing, it is toxic which may at low levels cause damage to health. And it may cause cancer and will be toxic if by inhalation, in contact with skin and if swallowed. Besides, if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In addition, it is highly flammable which may catch fire in contact with air, only needing brief contact with an ignition source. And it has a very low flash point or evolve highly flammable gases in contact with water.
There, you should take different measures to deal with different cases. The first important thing is to wear suitable protective clothing, and then try to avoid contacting with skin and eyes and avoid exposure - obtain special instruction before use. Besides, do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer).
Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2F
(2)InChI: InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
(3)InChIKey: CWLKTJOTWITYSI-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LDLo | oral | 380mg/kg (380mg/kg) | Journal of Laboratory and Clinical Medicine. Vol. 22, Pg. 1133, 1937. |