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Cas Database |
| Name |
1,4-Bis(4-cyanostyryl)benzene |
EINECS | 235-836-7 |
| CAS No. | 13001-40-6 | Density | 1.18 g/cm3 |
| PSA | 47.58000 | LogP | 5.77076 |
| Solubility | N/A | Melting Point |
230-234 °C |
| Formula | C24H16N2 | Boiling Point | 571.3 °C at 760 mmHg |
| Molecular Weight | 332.404 | Flash Point | 272.8 °C |
| Transport Information | N/A | Appearance | Light yellow |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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); |
Article Data | 7 |
1,4-Bis(4-cyanostyryl)benzene Synthetic route
- 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; |
1,4-Bis(4-cyanostyryl)benzene 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
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