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CAS No.: | 2713-33-9 |
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Name: | 3,4-Difluorophenol |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H4F2O |
Molecular Weight: | 130.094 |
Synonyms: | Phenol, 3,4-difluoro-;3,4-Difluoro phenol; |
EINECS: | 424-300-1 |
Density: | 1.351 g/cm3 |
Melting Point: | 34-38 °C(lit.) |
Boiling Point: | 184.6 °C at 760 mmHg |
Flash Point: | 57.8 °C |
Appearance: | white to light yellow crystals |
Hazard Symbols: | Xi,Xn,C,F |
Risk Codes: | 11-20/21/22-34 |
Safety: | 16-26-36/37/39-45 |
Transport Information: | UN 1325 4.1/PG 2 |
PSA: | 20.23000 |
LogP: | 1.67040 |
The 3,4-Difluorophenol, with the CAS registry number 2713-33-9, is a kind of white to yellowish crystalline low melting solid. This chemical is usually applied in the liquid crystal materials, with the product categories including Fluorobenzene Series;Aromatic Phenols; Fluorobenzene; Phenol&Thiophenol&Mercaptan; Fluorine Compounds; Phenols; Fluorophenols; Organic Building Blocks; Oxygen Compounds.
The physical properties of this chemical are as follows: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.39; (6)ACD/BCF (pH 7.4): 23.77; (7)ACD/KOC (pH 5.5): 342.38; (8)ACD/KOC (pH 7.4): 333.72; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 ; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 28.12 cm3; (15)Molar Volume: 96.2 cm3; (16)Polarizability: 11.14 ×10-24 cm3; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.351 g/cm3; (19)Flash Point: 57.8 °C; (20)Enthalpy of Vaporization: 43.81 kJ/mol; (21)Boiling Point: 184.6 °C at 760 mmHg; (22)Vapour Pressure: 0.53 mmHg at 25°C; (23)Exact Mass: 130.023021 ; (24)MonoIsotopic Mass: 130.023021 ; (25)Topological Polar Surface Area: 20.2 ; (26)Heavy Atom Count: 9 ; (27)Complexity: 97.1.
When you are dealing with this chemical, you should be much more cautious. For one thing, it is irritant to eyes, respiratory system and skin, which may also cause inflammation to the skin or other mucous membranes. For another thing, it is harmful which may cause damage to health. If by inhalation, in contact with skin and if swallowed, it will be dangerous. In addition, it is corrosive which may destroy living tissue on contact. Beside all these, 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.
Therefore, you should take the following instructions to protect yourself. Wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice and if in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) Besides, keep away from sources of ignition.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1O)F)F
(2)InChI: InChI=1S/C6H4F2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
(3)InChIKey: BNPWVUJOPCGHIK-UHFFFAOYSA-N