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| CAS No.: | 367-11-3 |
|---|---|
| Name: | 1,2-Difluorobenzene |
| Article Data: | 66 |
| Molecular Structure: | |
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|
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| Formula: | C6H4F2 |
| Molecular Weight: | 114.095 |
| Synonyms: | Benzene, 1, 2-difluoro-;o-Difluorobenzene;4-05-00-00637 (Beilstein Handbook Reference);Benzene, 1,2-difluoro-;Benzene, o-difluoro-; |
| EINECS: | 206-680-7 |
| Density: | 1.165 g/cm3 |
| Melting Point: | -34 °C(lit.) |
| Boiling Point: | 93.3 °C at 760 mmHg |
| Flash Point: | 2.2 °C |
| Solubility: | Not miscible or difficult to mix in water. |
| Appearance: | colorless liquid |
| Hazard Symbols: |
 F,  Xn
|
| Risk Codes: | 11-20 |
| Safety: | 7-16-29-33 |
| Transport Information: | UN 1993 3/PG 2 |
| PSA: | 0.00000 |
| LogP: | 1.96480 |
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Specification
This chemical is called 1,2-Difluorobenzene, and it's also named as Benzene, 1,2-difluoro-. With the molecular formula of C6H4F2, its product categories are Aromatic Hydrocarbons (substituted) & Derivatives; Fluorobenzene; Aryl; C6. The CAS registry number of this chemical is 367-11-3. Additionally, it's soluble in ethanol, insoluble in water. It should be stored in the cool and dry place, away from the oxidants.
Other characteristics of the 1,2-Difluorobenzene can be summarised as followings: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.23; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 29.25; (6)ACD/BCF (pH 7.4): 29.25; (7)ACD/KOC (pH 5.5): 389.99; (8)ACD/KOC (pH 7.4): 389.99; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.448; (13)Molar Refractivity: 26.24 cm3; (14)Molar Volume: 97.8 cm3; (15)Polarizability: 10.4×10-24cm3; (16)Surface Tension: 26.2 dyne/cm; (17)Density: 1.165 g/cm3; (18)Flash Point: 2.2 °C; (19)Enthalpy of Vaporization: 32.21 kJ/mol; (20)Boiling Point: 93.3 °C at 760 mmHg; (21)Vapour Pressure: 56.6 mmHg at 25°C.
Uses of this chemical: This chemical is used as intermediates of pharmaceuticals, pesticides, liquid crystal materials. It's also used on dry powder fire extinguishing agents, carbon dioxide.
When you are using this chemical, please be cautious about it as the following: This chemical is highly flammable. It's harmful if swallowed. Keep its container tightly closed and away from sources of ignition. Do not empty it into drains.Take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccccc1F
2.InChI: InChI=1/C6H4F2/c7-5-3-1-2-4-6(5)8/h1-4H
3.InChIKey: GOYDNIKZWGIXJT-UHFFFAOYAN