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CAS No.: | 446-09-3 |
---|---|
Name: | 1-BROMO-4-FLUORO-2-NITROBENZENE |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C6H3BrFNO2 |
Molecular Weight: | 219.998 |
Synonyms: | 1-Bromo-2-nitro-4-fluorobenzene;1-Bromo-4-fluoro-2-nitrobenzene; |
EINECS: | 207-160-2 |
Density: | 1.808 g/cm3 |
Melting Point: | 37-39 °C |
Boiling Point: | 220.9 °C at 760 mmHg |
Flash Point: | 87.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36/37/39 |
Transport Information: | UN2811 |
PSA: | 45.82000 |
LogP: | 3.01960 |
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The Benzene,1-bromo-4-fluoro-2-nitro-, with CAS registry number 446-09-3, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)FluoroCompounds; (4)NitroCompounds; (5)Bromine Compounds; (6)Fluorine Compounds; (7)Nitro Compounds. It has the systematic name of 1-bromo-4-fluoro-2-nitrobenzene. What's more, its EINECS is 207-160-2.
Physical properties of Benzene,1-bromo-4-fluoro-2-nitro-: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 39.7; (6)ACD/BCF (pH 7.4): 39.7; (7)ACD/KOC (pH 5.5): 485.33; (8)ACD/KOC (pH 7.4): 485.33; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 40.48 cm3; (15)Molar Volume: 121.6 cm3; (16)Polarizability: 16.04×10-24cm3; (17)Surface Tension: 48 dyne/cm; (18)Enthalpy of Vaporization: 43.87 kJ/mol; (19)Vapour Pressure: 0.164 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-4-fluoro-2-nitro- irritates to eyes, respiratory system and skin. This chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(F)ccc1Br
(2)InChI: InChI=1/C6H3BrFNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H
(3)InChIKey: XRXNWKIKQFEOGO-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H3BrFNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H
(5)Std. InChIKey: XRXNWKIKQFEOGO-UHFFFAOYSA-N