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Cas Database |
| Name |
4-Propoxy-[1,1'-biphenyl]-4'-carbonitrile |
EINECS | 258-122-7 |
| CAS No. | 52709-86-1 | Density | 1.1 g/cm3 |
| PSA | 33.02000 | LogP | 4.01408 |
| Solubility | 213.6ug/L(21 oC) | Melting Point |
168-169°C(lit.) |
| Formula | C16H15NO | Boiling Point | 393.1 °C at 760 mmHg |
| Molecular Weight | 237.301 | Flash Point | 165.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37-60 | Risk Codes | 22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, Xi
|
| Synonyms |
3OCB;4-(n-Propoxy)-4'-cyano-1,1'-biphenyl;4-Cyano-4'-n-propyloxybiphenyl;4-Cyano-4'-propyloxybiphenyl;4'-Propoxy-4-biphenylcarbonitrile;p-Propyloxy-p'-cyanobiphenyl; |
Article Data | 3 |
4-Propoxy-[1,1'-biphenyl]-4'-carbonitrile Chemical Properties
The Molecular Structure of (1,1'-Biphenyl)-4-carbonitrile, 4'-propoxy- (CAS NO.52709-86-1):
Molecular Formula: C16H15NO
Molecular Weight: 237.296400 g/mol
IUPAC: 4-(4-propoxyphenyl)benzonitrile
Product Categories: Biphenyl & Diphenyl ether
Nominal Mass: 237 Da
Average Mass: 237.2964 Da
Monoisotopic Mass: 237.115364 Da
Index of Refraction: 1.58
Molar Refractivity: 71.65 cm3
Molar Volume: 215 cm3
Surface Tension: 47.2 dyne/cm
Density: 1.1 g/cm3
Flash Point: 165.4 °C
Enthalpy of Vaporization: 64.29 kJ/mol
Boiling Point: 393.1 °C at 760 mmHg
Vapour Pressure: 2.19E-06 mmHg at 25°C
InChI
InChI=1/C16H15NO/c1-2-11-18-16-9-7-15(8-10-16)14-5-3-13(12-17)4-6-14/h3-10H,2,11H2,1H3
Smiles
N#Cc1ccc(c2ccc(OCCC)cc2)cc1
4-Propoxy-[1,1'-biphenyl]-4'-carbonitrile Uses
(1,1'-Biphenyl)-4-carbonitrile, 4'-propoxy- (CAS NO.52709-86-1) is used as intermediates of liquid crystals.
4-Propoxy-[1,1'-biphenyl]-4'-carbonitrile 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. |
4-Propoxy-[1,1'-biphenyl]-4'-carbonitrile Specification
(1,1'-Biphenyl)-4-carbonitrile, 4'-propoxy- (CAS NO.52709-86-1) is also called as 3OCB ; 4'-Propoxy-(1,1'-biphenyl)-4-carbonitrile ; 4-Cyano-4'-propoxybiphenyl ; 4-Propoxycyanodiphenyl ; BRN 2807119 ; EINECS 258-122-7 .
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