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| CAS No.: | 13001-40-6 |
|---|---|
| Name: | 1,4-Bis(4-cyanostyryl)benzene |
| Molecular Structure: | |
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| Formula: | C24H16N2 |
| Molecular Weight: | 332.404 |
| Synonyms: | 1,4-Bis(4-cyanostyryl)benzene;1,4-Bis(p-cyanostyryl)benzene;Blankophor ER;C.I. 40705;C.I. FluorescentBrightener 199;Fluorescent Brightener 199;Palanil Brilliant White R;Ultraphor RN;Benzonitrile,4,4'-(p-phenylenedivinylene)di- (7CI,8CI); |
| EINECS: | 235-836-7 |
| Density: | 1.18 g/cm3 |
| Melting Point: | 230-234 °C |
| Boiling Point: | 571.3 °C at 760 mmHg |
| Flash Point: | 272.8 °C |
| Appearance: | Light yellow |
| PSA: | 47.58000 |
| LogP: | 5.77076 |
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 1552-41-6
diethyl [(4-cyanophenyl)methyl]phosphonate
- 623-27-8
terephthalaldehyde,
- 13001-40-6
1,4-bis(p-cyanostyryl)benzene
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In tetrahydrofuran at 20℃; for 1h; | 52% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride at 45℃; for 5h; | 18% |
- 623-27-8
terephthalaldehyde,
- 26104-68-7
(p-cyanobenzyl)triphenylphosphonium bromide
- 13001-40-6
1,4-bis(p-cyanostyryl)benzene
| Conditions | Yield |
|---|---|
| With sodium ethanolate In ethanol for 3.5h; | 17% |
- 1552-41-6
diethyl [(4-cyanophenyl)methyl]phosphonate
- 72436-40-9
4-[(E)-2-(4-Formyl-phenyl)-vinyl]-benzonitrile
- 13001-40-6
1,4-bis(p-cyanostyryl)benzene
| Conditions | Yield |
|---|---|
| With potassium hydroxide In N,N-dimethyl-formamide Yield given; |
- 13001-40-6
1,4-bis(p-cyanostyryl)benzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: SOCl2 2: H2 / 5 percent Pd/BaSO4, "quinoline S" / xylene / Heating 3: KOH / dimethylformamide View Scheme |
- 73755-13-2
4-[(E)-2-(4-Cyano-phenyl)-vinyl]-benzoyl chloride
- 13001-40-6
1,4-bis(p-cyanostyryl)benzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: H2 / 5 percent Pd/BaSO4, "quinoline S" / xylene / Heating 2: KOH / dimethylformamide View Scheme |
| Conditions | Yield |
|---|---|
| With triphenyl phosphite; triethylamine; bis(dibenzylideneacetone)-palladium(0) In N,N-dimethyl-formamide at 120℃; Heck Reaction; |
- 105-07-7
4-cyanobenzaldehyde
- 13001-40-6
1,4-bis(p-cyanostyryl)benzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: Alkaline conditions 2: bis(dibenzylideneacetone)-palladium(0); triphenyl phosphite; triethylamine / N,N-dimethyl-formamide / 120 °C View Scheme |
- 13001-40-6
1,4-bis(p-cyanostyryl)benzene
| Conditions | Yield |
|---|---|
| With iodine; methyloxirane In benzene Dehydrogenation; photocyclization; Irradiation; | 32% |
- 13001-40-6
1,4-bis(p-cyanostyryl)benzene
- 81919-21-3
1,4-bis<2-(4-cyanophenyl)ethyl>benzene
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid hydrazide In 2-methoxy-ethanol for 16h; Heating; |
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Specification
The Benzonitrile,4,4'-(1,4-phenylenedi-2,1-ethenediyl)bis- with the CAS number 13001-40-6 is also called 1,4-Bis(4-cyanostyryl)benzene. The IUPAC name is 4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile. Its molecular formula is C24H16N2. The EINECS registry number is 235-836-7.
The properties of the Benzonitrile,4,4'-(1,4-phenylenedi-2,1-ethenediyl)bis- are: (1)ACD/LogP: 6.58; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 47.58 Å2; (7)Index of Refraction: 1.66; (8)Molar Refractivity: 103.64 cm3; (9)Molar Volume: 280.4 cm3; (10)Polarizability: 41.08×10-24cm3; (11)Surface Tension: 59.9 dyne/cm; (12)Enthalpy of Vaporization: 85.67 kJ/mol; (13)Vapour Pressure: 4.61×10-13 mmHg at 25°C.
Uses: This chemical can prepare dibenzo[c,g]phenanthrene-9,12-dicarbonitrile. This reaction needs reagent I2, propylene oxide and solvent benzene. The yield is 32%. Tis reaction needs irradiation.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc3ccc(\C=C\c2ccc(\C=C\c1ccc(C#N)cc1)cc2)cc3
(2)InChI: InChI=1/C24H16N2/c25-17-23-13-9-21(10-14-23)7-5-19-1-2-20(4-3-19)6-8-22-11-15-24(18-26)16-12-22/h1-16H/b7-5+,8-6+
(3)InChIKey: KIAAMJMIIHTGBH-KQQUZDAGBF