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35950-55-1

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Basic Information
CAS No.: 35950-55-1
Name: 1-(5-bromofur-2-il)-2-bromo-2-nitroethene
Article Data: 5
Molecular Structure:
Molecular Structure of 35950-55-1 (1-(5-bromofur-2-il)-2-bromo-2-nitroethene)
Formula: C6H3Br2NO3
Molecular Weight: 296.903
Synonyms: 2-Bromo-5-(2-bromo-2-nitrovinyl)furan;
Density: 2.141 g/cm3
Boiling Point: 305.233 °C at 760 mmHg
Flash Point: 138.4 °C
PSA: 58.96000
LogP: 3.53530
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Synthetic route

β-<5-Brom-furyl-2>-α,β-dibrom-nitro-ethylen

35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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

C14H12BrNO3

Conditions
ConditionsYield
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
ConditionsYield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In water; toluene at 90℃; for 8h; Suzuki reaction;90%
6165-68-0

thiophene boronic acid

35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

C10H6BrNO3S

Conditions
ConditionsYield
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

C22H21NO5

Conditions
ConditionsYield
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

C22H21NO3

Conditions
ConditionsYield
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

C13H10BrNO3

Conditions
ConditionsYield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In water; toluene at 90℃; for 8h; Suzuki reaction;84%
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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