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| CAS No.: | 52364-71-3 |
|---|---|
| Name: | 4-Pentyloxy-[1,1'-biphenyl]-4'-carbonitrile |
| Article Data: | 3 |
| Molecular Structure: | |
|
|
|
| Formula: | C18H19NO |
| Molecular Weight: | 265.355 |
| Synonyms: | 4-(Amyloxy)-4'-cyanobiphenyl;4-(n-Amyloxy)-4'-cyanobiphenyl;4-(n-Pentyloxy)-4'-cyanobiphenyl;4-Cyano-4'-(pentyloxy)biphenyl;4-Pentoxy-4'-cyanobiphenyl;4'-(Pentyloxy)-4-cyanobiphenyl;5COB;5OCB;D 105;D 105 (stationaryphase);M 15;M 15 (liquid crystal);NZhK 1;Ro CB 5315;p-(Amyloxy)-p'-cyanobiphenyl;p-(Pentyloxy)-p'-cyanobiphenyl; |
| EINECS: | 257-875-9 |
| Density: | 1.07 g/cm3 |
| Melting Point: | 52 °C |
| Boiling Point: | 418 °C at 760 mmHg |
| Flash Point: | 175.3 °C |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 33.02000 |
| LogP: | 4.79428 |
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Chemistry
The Molecular Structure of (1,1'-Biphenyl)-4-carbonitrile, 4'-(pentyloxy)- (CAS NO.52364-71-3):
Molecular Formula: C18H19NO
Molecular Weight: 265.349560 g/mol
IUPAC: 4-(4-pentoxyphenyl)benzonitrile
Product Categories: Biphenyl & Diphenyl ether;Biphenyls (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Cyanobiphenyls & Analogs (Liquid Crystals);Functional Materials;Liquid Crystals & Related Compounds;Liquid Crystals;Nematic;Organic Electronics and Photonics
Appearance: liquid crystal (nematic)
Nominal Mass: 265 Da
Average Mass: 265.3496 Da
Monoisotopic Mass: 265.146664 Da
Molar Volume: 247.6 cm3
Surface Tension: 45.7 dyne/cm
Density: 1.07 g/cm3
Flash Point: 175.3 °C
Melting Point: 52 °C
Enthalpy of Vaporization: 67.15 kJ/mol
Boiling Point: 418 °C at 760 mmHg
Vapour Pressure: 3.39E-07 mmHg at 25°C
InChI
InChI=1/C18H19NO/c1-2-3-4-13-20-18-11-9-17(10-12-18)16-7-5-15(14-19)6-8-16/h5-12H,2-4,13H2,1H3
Smiles
N#Cc1ccc(c2ccc(OCCCCC)cc2)cc1
Uses
(1,1'-Biphenyl)-4-carbonitrile, 4'-(pentyloxy)- (CAS NO.52364-71-3) is used as intermediates of liquid crystals.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intraperitoneal | > 700mg/kg (700mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 34(4), Pg. 23, 1990. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 34(4), Pg. 23, 1990. |
Safety Profile
Hazard Codes: 
Xn
Xi
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36: Wear suitable protective clothing
RIDADR: 3276
WGK Germany: 3
RTECS: DV1764550
HazardClass: 6.1
PackingGroup: III
Specification
(1,1'-Biphenyl)-4-carbonitrile, 4'-(pentyloxy)- (CAS NO.52364-71-3) is also called as m 15 ; 4'-(Pentyloxy)-(1,1'-biphenyl)-4-carbonitrile ; 4-Amyloxycyanodiphenyl ; 4-Cyano-4'-pentoxybiphenyl ; 5COB ; BRN 2215500 ; D 105 ; D 105 (stationary phase) ; EINECS 257-875-9 ; M 15 ; M 15 (liquid crystal) ; NZh K 1 ; Ro CB 5315 ; 4'-(Pentyloxy)(1,1'-biphenyl)-4-carbonitrile .