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Cas Database |
| Name |
Benzene,1-(difluoromethoxy)-4-nitro- |
EINECS | N/A |
| CAS No. | 1544-86-1 | Density | 1.385 g/cm3 |
| PSA | 55.05000 | LogP | 2.71940 |
| Solubility | N/A | Melting Point |
37-40 °C(lit.) |
| Formula | C7H5F2NO3 | Boiling Point | 259.569 °C at 760 mmHg |
| Molecular Weight | 189.118 | Flash Point | 110.784 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37 | Risk Codes | 22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi
|
| Synonyms |
Anisole, a,a-difluoro-p-nitro- (6CI,7CI,8CI);1-Difluoromethoxy-4-nitrobenzene;4-(Difluoromethoxy)nitrobenzene;Difluoromethyl4-nitrophenyl ether;p-Nitrophenyl difluoromethyl ether;a,a-Difluoro-p-nitroanisole; |
Article Data | 26 |
Benzene,1-(difluoromethoxy)-4-nitro- Specification
The Benzene,1-(difluoromethoxy)-4-nitro- is an organic compound with the formula C7H5F2NO3. The IUPAC name of this chemical is 1-(Difluoromethoxy)-4-nitrobenzene. With the CAS registry number 1544-86-1, it is also named as 4-(Difluoromethoxy)nitrobenzene. Besides, it should be stored in a cool, sealed, dry, well-ventilated, lightproof place.
Physical properties about Benzene,1-(difluoromethoxy)-4-nitro- are: (1)ACD/LogP: 2.40; (2)ACD/LogD (pH 5.5): 2.402; (3)ACD/LogD (pH 7.4): 2.402; (4)ACD/BCF (pH 5.5): 39.427; (5)ACD/BCF (pH 7.4): 39.427; (6)ACD/KOC (pH 5.5): 482.933; (7)ACD/KOC (pH 7.4): 482.933; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 55.05 Å2; (11)Index of Refraction: 1.494; (12)Molar Refractivity: 39.763 cm3; (13)Molar Volume: 136.549 cm3; (14)Polarizability: 15.763×10-24 cm3; (15)Surface Tension: 36.585 dyne/cm; (16)Density: 1.385 g/cm3; (17)Flash Point: 110.784 °C; (18)Enthalpy of Vaporization: 47.715 kJ/mol; (19)Boiling Point: 259.569 °C at 760 mmHg; (20)Vapour Pressure: 0.021 mmHg at 25 °C.
Preparation: this chemical can be prepared by 4-Nitro-phenol. This reaction will need reagent CuI and solvent acetonitrile. The reaction time is 2 hours with reaction temperature of 50 °C. The yield is about 38%.
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Uses of Benzene,1-(difluoromethoxy)-4-nitro-: it can be used to produce N,N'-bis-(4-difluoromethoxy-phenyl)-diazene N-oxide. It will need reagent Mg and solvent methanol with reaction time of 4 hours. The yield is about 75%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H5F2NO3/c8-7(9)13-6-3-1-5(2-4-6)10(11)12/h1-4,7H
(2)InChIKey: SVGGBARCOQPYMV-UHFFFAOYAI
(3)Std. InChI: InChI=1S/C7H5F2NO3/c8-7(9)13-6-3-1-5(2-4-6)10(11)12/h1-4,7H
(4)Std. InChIKey: SVGGBARCOQPYMV-UHFFFAOYSA-N
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