Products Categories
| CAS No.: | 52709-83-8 |
|---|---|
| Name: | 4'-Butyl-4-biphenylcarbonitrile |
| Article Data: | 5 |
| Molecular Structure: | |
|
|
|
| Formula: | C17H17N |
| Molecular Weight: | 235.329 |
| Synonyms: | 4-Butyl-4'-cyanobiphenyl;4'-n-Butyl-4-cyanobiphenyl;4-Cyano-4'-butylbiphenyl;4-Cyano-4'-n-butylbiphenyl;4-Butyl-4'-cyano-1,1'-biphenyl;CB 4;CB 4 (liquid crystal); |
| EINECS: | 258-119-0 |
| Density: | 1.04 g/cm3 |
| Melting Point: | 49-51 °C |
| Boiling Point: | 380.9 °C at 760 mmHg |
| Flash Point: | 185.3 °C |
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 23.79000 |
| LogP: | 4.56788 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
- 52709-83-8
4'-n-butyl-4-cyanobiphenyl
| Conditions | Yield |
|---|---|
| With iodophenylbis(triphenylphosphine)palladium In N,N-dimethyl-formamide for 2h; Heating; | 91% |
- 93972-13-5
4'-Butyl-biphenyl-4-carbaldehyde oxime
- 52709-83-8
4'-n-butyl-4-cyanobiphenyl
| Conditions | Yield |
|---|---|
| With acetic anhydride for 2h; Heating; | 70% |
- 623-26-7
terephthalonitrile
- 109-65-9
1-bromo-butane
- 100-47-0
benzonitrile
A
- 1591-30-6
(1,1'-biphenyl)-4,4'-dicarbonitrile
B
- 104-51-8
1-butylbenzene
C
- 52709-83-8
4'-n-butyl-4-cyanobiphenyl
D
- 20651-73-4
4-butylbenzonitrile
| Conditions | Yield |
|---|---|
| Stage #1: terephthalonitrile With sodium In ammonia at -33℃; Stage #2: benzonitrile In ammonia for 0.5h; Stage #3: 1-bromo-butane In ammonia for 1.5h; | A 15% B 9% C 56% D 8% |
- 623-26-7
terephthalonitrile
- 109-65-9
1-bromo-butane
- 100-47-0
benzonitrile
A
- 1591-30-6
(1,1'-biphenyl)-4,4'-dicarbonitrile
B
- 52709-83-8
4'-n-butyl-4-cyanobiphenyl
C
- 20651-73-4
4-butylbenzonitrile
D
- 134785-03-8
1-butyl-1-cyanocyclohexa-2,5-diene
| Conditions | Yield |
|---|---|
| Stage #1: terephthalonitrile With sodium In ammonia at -33℃; Stage #2: 1-bromo-butane; benzonitrile In ammonia | A 8% B 30% C 10% D 3% |
- 92-52-4
biphenyl
- 52709-83-8
4'-n-butyl-4-cyanobiphenyl
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: AlCl3 / CH2Cl2 / 5 h / Ambient temperature 2: 1) hydrazine hydrate, 2) KOH / 1) diethylene glycol, 130 deg C, 1 h, 2) diethylene glycol, 130 deg C, 2 h, then 160 deg C, 3 h 3: 1) TiCl4, 2) hydroxylamine hydrochloride, pyridine / 1) CH2Cl2, 0 deg C, 30 min, 2) ethanol, reflux, 2 h 4: 70 percent / acetic anhydride / 2 h / Heating View Scheme |
- 37909-95-8
4-butylbiphenyl
- 52709-83-8
4'-n-butyl-4-cyanobiphenyl
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 1) TiCl4, 2) hydroxylamine hydrochloride, pyridine / 1) CH2Cl2, 0 deg C, 30 min, 2) ethanol, reflux, 2 h 2: 70 percent / acetic anhydride / 2 h / Heating View Scheme |
- 13211-01-3
1-([1,1'-biphenyl]-4-yl)butan-1-one
- 52709-83-8
4'-n-butyl-4-cyanobiphenyl
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 1) hydrazine hydrate, 2) KOH / 1) diethylene glycol, 130 deg C, 1 h, 2) diethylene glycol, 130 deg C, 2 h, then 160 deg C, 3 h 2: 1) TiCl4, 2) hydroxylamine hydrochloride, pyridine / 1) CH2Cl2, 0 deg C, 30 min, 2) ethanol, reflux, 2 h 3: 70 percent / acetic anhydride / 2 h / Heating View Scheme |
| Conditions | Yield |
|---|---|
| at -33℃; for 1.5h; |
- 52709-83-8
4'-n-butyl-4-cyanobiphenyl
- 37909-95-8
4-butylbiphenyl
| Conditions | Yield |
|---|---|
| With [1,1'-bis(diphenylphosphino)ferrocene]nickel(II) chloride; ethanol; potassium hexamethylsilazane In toluene at 150℃; for 8h; Inert atmosphere; Molecular sieve; | 73% |
- 52709-83-8
4'-n-butyl-4-cyanobiphenyl
- 59662-46-3
4’-butyl-[1,1 ‘-biphenyl]-4-carboxylic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
What can I do for you?
Get Best Price
Specification
The 4'-Butyl-4-biphenylcarbonitrile, with the CAS registry number 52709-83-8 and EINECS registry number 258-119-0, has the systematic name of 4'-butylbiphenyl-4-carbonitrile. And the molecular formula of this chemical is C17H17N. It belongs to the product categories of Biphenyl & Diphenyl ether. In addition, it is used as intermediates of liquid crystals.
The physical properties of 4'-Butyl-4-biphenylcarbonitrile are as following: (1)ACD/LogP: 5.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.35; (4)ACD/LogD (pH 7.4): 5.35; (5)ACD/BCF (pH 5.5): 6836.82; (6)ACD/BCF (pH 7.4): 6836.82; (7)ACD/KOC (pH 5.5): 19345.51; (8)ACD/KOC (pH 7.4): 19345.51; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 74.54 cm3; (15)Molar Volume: 225.2 cm3; (16)Polarizability: 29.55×10-24cm3; (17)Surface Tension: 45 dyne/cm; (18)Density: 1.04 g/cm3; (19)Flash Point: 185.3 °C; (20)Enthalpy of Vaporization: 62.92 kJ/mol; (21)Boiling Point: 380.9 °C at 760 mmHg; (22)Vapour Pressure: 5.26E-06 mmHg at 25°C.
Preparation of 4'-Butyl-4-biphenylcarbonitrile: This chemical can be prepared by 4'-bromo-4-butyl-biphenyl. The reaction will need reagent PhPdI(PPh3)2, and the solvent dimethylformamide. The reaction time is 2 hour with heating, and the yield is about 91%.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2ccc(c1ccc(cc1)CCCC)cc2
(2)InChI: InChI=1/C17H17N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h5-12H,2-4H2,1H3
(3)InChIKey: PJPLBHHDTUICNN-UHFFFAOYAK