5-Bromo-2-(trifluoromethoxy)nitrobenzene supplier

Name
3-NITRO-4-(TRIFLUOROMETHOXY)BROMOBENZENE
EINECS
CAS No. 95668-20-5
Density 1.812 g/cm³
Solubility
Melting Point
Formula C₇H₃BrF₃NO₃
Boiling Point 258.148 °C at 760 mmHg
Molecular Weight 286.005
Flash Point 109.924 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Bromo-2-nitro-1-(trifluoromethoxy)benzene;
PSA 55.05000
LogP 3.77910

5-Bromo-2-(trifluoromethoxy)nitrobenzene Specification

The Benzene,4-bromo-2-nitro-1-(trifluoromethoxy)- is an organic compound with the formula C₇H₃BrF₃NO₃. The systematic name of this chemical is 4-bromo-2-nitro-1-(trifluoromethoxy)benzene. With the CAS registry number 95668-20-5, it is also named as 3-Nitro-4-(trifluoromethoxy)bromobenzene.

The other characteristics of Benzene,4-bromo-2-nitro-1-(trifluoromethoxy)- can be summarized as: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.6; (4)ACD/LogD (pH 7.4): 3.6; (5)ACD/BCF (pH 5.5): 321.12; (6)ACD/BCF (pH 7.4): 321.12; (7)ACD/KOC (pH 5.5): 2167.1; (8)ACD/KOC (pH 7.4): 2167.1; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 47.62 cm³; (15)Molar Volume: 157.8 cm³; (16)Polarizability: 18.87×10^-24 cm³; (17)Surface Tension: 38.6 dyne/cm; (18)Density: 1.811 g/cm³; (19)Flash Point: 109.9 °C ; (20)Enthalpy of Vaporization: 47.57 kJ/mol; (21)Boiling Point: 258.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0225 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Brc1cc(c(OC(F)(F)F)cc1)[N+]([O-])=O
2. InChI:InChI=1/C7H3BrF3NO3/c8-4-1-2-6(15-7(9,10)11)5(3-4)12(13)14/h1-3H
3. InChIKey:OIGUXYDXDJIDCY-UHFFFAOYAT
4. Std. InChI:InChI=1S/C7H3BrF3NO3/c8-4-1-2-6(15-7(9,10)11)5(3-4)12(13)14/h1-3H
5. Std. InChIKey:OIGUXYDXDJIDCY-UHFFFAOYSA-N

Product Name

3-NITRO-4-(TRIFLUOROMETHOXY)BROMOBENZENE

5-Bromo-2-(trifluoromethoxy)nitrobenzene Specification

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