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| CAS No.: | 13001-39-3 |
|---|---|
| Name: | 1,4-Bis(2-cyanostyryl)benzene |
| Article Data: | 4 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C24H16N2 |
| Molecular Weight: | 332.404 |
| Synonyms: | Benzonitrile,2,2'-(p-phenylenedivinylene)di- (7CI,8CI);2-[(E)-2-[4-[(E)-2-(2-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile; |
| EINECS: | 235-835-1 |
| Density: | 1.18 g/cm3 |
| Melting Point: | 229-231 °C(Solv: N,N-dimethylformamide (68-12-2)) |
| Boiling Point: | 575.7 °C at 760 mmHg |
| Flash Point: | 275.3 °C |
| Solubility: | 24μg/L at 25℃ |
| PSA: | 47.58000 |
| LogP: | 5.77076 |
- 13001-40-6Benzonitrile,4,4'-(1,4-phenylenedi-2,1-ethenediyl)bis-
- 13001-71-32-Butenoicacid, 4,4,4-trichloro-, ethyl ester
- 130-01-8[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione,3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-5,6-dimethyl-,(3Z,5R,6R,14aR,14bR)-
- 130018-77-8Levocetirizine
- 130018-82-5Aceticacid, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-,hydrochloride (1:2)
- 130018-87-0Levocetirizine dihydrochloride
- 130018-88-11-(4-Chlorobenzhydryl) piperazine
- 1300-21-6Ethane, dichloro-(8CI,9CI)
- 1300-23-8Dilithium glycerophosphate
- 130025-33-1Benzoic acid,5-chloro-2,4-difluoro-
- 23973-65-1
2-cyano-benzylphosphonic acid diethyl ester
- 623-27-8
terephthalaldehyde,
- 13001-39-3
2-[2-[4-[2-(4-cyanophenyl)vinyl]phenyl]vinyl]benzonitrile
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol; N,N-dimethyl-formamide at 35℃; for 3h; Solvent; Reagent/catalyst; Green chemistry; | 91% |
| With sodium hydroxide In N,N-dimethyl-formamide at 50℃; for 4h; |
- 529-19-1
2-Methylbenzonitrile
- 623-27-8
terephthalaldehyde,
- 13001-39-3
2-[2-[4-[2-(4-cyanophenyl)vinyl]phenyl]vinyl]benzonitrile
| Conditions | Yield |
|---|---|
| With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride at 45℃; for 8h; | 12% |
- 13001-39-3
2-[2-[4-[2-(4-cyanophenyl)vinyl]phenyl]vinyl]benzonitrile
| Conditions | Yield |
|---|---|
| Stage #1: 2-[2-[4-[2-(4-cyanophenyl)vinyl]phenyl]vinyl]benzonitrile With water; sodium hydroxide In tetrahydrofuran for 36h; Reflux; Stage #2: With formic acid In water | 80% |
- 13001-39-3
2-[2-[4-[2-(4-cyanophenyl)vinyl]phenyl]vinyl]benzonitrile
| Conditions | Yield |
|---|---|
| With sulfuric acid at 130℃; |
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Specification
The Benzonitrile,2,2'-(1,4-phenylenedi-2,1-ethenediyl)bis- with the CAS number 13001-39-3 is also called Benzonitrile,2,2'-(p-phenylenedivinylene)di- (7CI,8CI). The IUPAC name is 2-[(E)-2-[4-[(E)-2-(2-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile. Its molecular formula is C24H16N2. The EINECS registry number is 235-835-1. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the Benzonitrile,2,2'-(1,4-phenylenedi-2,1-ethenediyl)bis- are: (1)ACD/LogP: 6.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.32; (4)ACD/LogD (pH 7.4): 6.32; (5)ACD/BCF (pH 5.5): 37494.24; (6)ACD/BCF (pH 7.4): 37494.24; (7)ACD/KOC (pH 5.5): 65407.43; (8)ACD/KOC (pH 7.4): 65407.43; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 47.58 Å2; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 103.64 cm3; (15)Molar Volume: 280.4 cm3; (16)Polarizability: 41.08×10-24cm3; (17)Surface Tension: 59.9 dyne/cm; (18)Enthalpy of Vaporization: 86.22 kJ/mol; (19)Vapour Pressure: 2.97×10-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc3ccccc3\C=C\c2ccc(\C=C\c1ccccc1C#N)cc2
(2)InChI: InChI=1/C24H16N2/c25-17-23-7-3-1-5-21(23)15-13-19-9-11-20(12-10-19)14-16-22-6-2-4-8-24(22)18-26/h1-16H/b15-13+,16-14+
(3)InChIKey: RBABXJPJIHMBBP-WXUKJITCBC