-
Name
4-(BROMODIFLUOROMETHOXY)NITROBENZENE
- EINECS
- CAS No. 81932-04-9
- Article Data3
- CAS DataBase
- Density 1.793 g/cm3
- Solubility
- Melting Point
- Formula C7H4BrF2NO3
- Boiling Point 280.7 °C at 760 mmHg
- Molecular Weight 268.014
- Flash Point 123.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Bromo(difluoro)methyl 4-nitrophenyl ether;
- PSA 55.05000
- LogP 3.44200
Benzene,1-(bromodifluoromethoxy)-4-nitro- Specification
The Benzene,1-(bromodifluoromethoxy)-4-nitro-, with the CAS registry number 81932-04-9, is also known as Bromo(difluoro)methyl 4-nitrophenyl ether. This chemical's molecular formula is C7H4BrF2NO3 and molecular weight is 268.01. What's more, its systematic name is called 1-[Bromo(difluoro)methoxy]-4-nitrobenzene. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzene,1-(bromodifluoromethoxy)-4-nitro- are: (1) ACD/LogP: 3.55; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.55; (4) ACD/LogD (pH 7.4): 3.55; (5) ACD/BCF (pH 5.5): 294.56; (6) ACD/BCF (pH 7.4): 294.56; (7) ACD/KOC (pH 5.5): 2037.21; (8) ACD/KOC (pH 7.4): 2037.21; (9) #H bond acceptors: 4; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 55.05 Å2; (13) Index of Refraction: 1.548; (14) Molar Refractivity: 47.5 cm3; (15) Molar Volume: 149.4 cm3; (16) Surface Tension: 44.4 dyne/cm; (17) Density: 1.793 g/cm3; (18)Flash Point: 123.6 °C; (19) Enthalpy of Vaporization: 49.86 kJ/mol; (20) Boiling Point: 280.7 °C at 760 mmHg; (21) Vapour Pressure: 0.00632 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(Br)(F)Oc1ccc(cc1)[N+]([O-])=O
(2) InChI: InChI=1/C7H4BrF2NO3/c8-7(9,10)14-6-3-1-5(2-4-6)11(12)13/h1-4H
(3) InChIKey: JPNHCEIQOASHOX-UHFFFAOYAP
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