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Cas Database |
| Name |
1-(5-Bromofur-2-yl)-2-bromo-2-nitroethene |
EINECS | N/A |
| CAS No. | 35950-55-1 | Density | 2.141 g/cm3 |
| PSA | 58.96000 | LogP | 3.53530 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H3Br2NO3 | Boiling Point | 305.233 °C at 760 mmHg |
| Molecular Weight | 296.903 | Flash Point | 138.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Bromo-5-(2-bromo-2-nitrovinyl)furan; |
Article Data | 5 |
1-(5-Bromofur-2-yl)-2-bromo-2-nitroethene Synthetic route
- 35950-55-1
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
| Conditions | Yield |
|---|---|
| With potassium acetate In ethanol at 18 - 20℃; for 0.166667h; | 68% |
- 1899-24-7
5-bromo-2-furancarboxaldehyde
- 563-70-2
bromonitromethane
- 35950-55-1
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
| Conditions | Yield |
|---|---|
| Stage #1: 5-bromo-2-furancarboxaldehyde; bromonitromethane at 20℃; for 5h; Stage #2: With acetic anhydride In ethyl acetate at 20℃; for 1.5h; | 31% |
- 699-18-3, 32782-45-9
2-[(E)-2-nitroethenyl]furan
- 35950-55-1
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
| Conditions | Yield |
|---|---|
| Stage #1: 2-[(E)-2-nitroethenyl]furan With bromine In acetic acid Stage #2: With pyridine In acetic acid Further stages.; |
- 98-01-1
furfural
- 35950-55-1
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: NaOH / H2O 2.1: Br2 / acetic acid 2.2: pyridine / acetic acid View Scheme |
- 35950-55-1
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
- 172975-69-8
3,5-dimethylphenyl boronic acid
| Conditions | Yield |
|---|---|
| With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In water; toluene at 90℃; for 8h; Suzuki reaction; | 93% |
- 35950-55-1
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
- 98-80-6
phenylboronic acid
- 918429-23-9
C12H8BrNO3
| Conditions | Yield |
|---|---|
| With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In water; toluene at 90℃; for 8h; Suzuki reaction; | 90% |
| Conditions | Yield |
|---|---|
| With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane; water at 90℃; for 8h; Suzuki reaction; | 87% |
- 35950-55-1
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
- 22237-13-4
(4-ethoxyphenyl)boronic acid
| Conditions | Yield |
|---|---|
| With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In water; toluene at 90℃; Suzuki reaction; | 87% |
- 35950-55-1
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
- 172975-69-8
3,5-dimethylphenyl boronic acid
| Conditions | Yield |
|---|---|
| With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane; water at 90℃; Suzuki reaction; | 86% |
- 35950-55-1
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
- 5720-05-8
4-methylphenylboronic acid
| Conditions | Yield |
|---|---|
| With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In water; toluene at 90℃; for 8h; Suzuki reaction; | 84% |
1-(5-Bromofur-2-yl)-2-bromo-2-nitroethene Specification
The 1-(5-Bromofur-2-yl)-2-bromo-2-nitroethene, with the CAS registry number 35950-55-1, is also known as Furan, 2-bromo-5-(2-bromo-2-nitroethenyl)-. This chemical's molecular formula is C6H3Br2NO3 and molecular weight is 296.90. What's more, its systematic name is 2-Bromo-5-(2-bromo-2-nitrovinyl)furan. Its classification code is Mutation data.
Physical properties of 1-(5-Bromofur-2-yl)-2-bromo-2-nitroethene are: (1)ACD/LogP: 2.158; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16; (5)ACD/BCF (pH 5.5): 25.70; (6)ACD/BCF (pH 7.4): 25.70; (7)ACD/KOC (pH 5.5): 355.47; (8)ACD/KOC (pH 7.4): 355.47; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.96 Å2; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 51.097 cm3; (15)Molar Volume: 138.643 cm3; (16)Polarizability: 20.256×10-24cm3; (17)Surface Tension: 57.5 dyne/cm; (18)Density: 2.141 g/cm3; (19)Flash Point: 138.4 °C; (20)Enthalpy of Vaporization: 52.387 kJ/mol; (21)Boiling Point: 305.233 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Br\C(=C\c1oc(Br)cc1)[N+]([O-])=O
(2)Std. InChI: InChI=1S/C6H3Br2NO3/c7-5(9(10)11)3-4-1-2-6(8)12-4/h1-3H/b5-3-
(3)Std. InChIKey: MJPPGVVIDGQOQT-HYXAFXHYSA-N
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