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| CAS No.: | 36393-42-7 |
|---|---|
| Name: | 4'-Methylbiphenyl-4-carbaldehyde |
| Article Data: | 4 |
| Molecular Structure: | |
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|
|
| Formula: | C14H12O |
| Molecular Weight: | 196.249 |
| Synonyms: | 4-(4-Methylphenyl)benzaldehyde;4'-Methyl-4-formylbiphenyl; |
| Density: | 1.074 g/cm3 |
| Melting Point: | 104-108 °C |
| Boiling Point: | 338.3 °C at 760 mmHg |
| Flash Point: | 184.7 °C |
| Hazard Symbols: |
 Xn, N, Xi
|
| Risk Codes: | 22-51/53 |
| Safety: | 61 |
| Transport Information: | UN 3077 9/PG 3 |
| PSA: | 17.07000 |
| LogP: | 3.47450 |
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- Total:31 Page 1 of 1 1
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Specification
The 4'-Methylbiphenyl-4-carbaldehyde with the CAS number 36393-42-7 is also called [1,1'-Biphenyl]-4-carboxaldehyde,4'-methyl-. The IUPAC name is 4-(4-methylphenyl)benzaldehyde. Its molecular formula is C14H12O. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 4.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.29; (4)ACD/LogD (pH 7.4): 4.29; (5)ACD/BCF (pH 5.5): 1067.71; (6)ACD/BCF (pH 7.4): 1067.71; (7)ACD/KOC (pH 5.5): 5121.14; (8)ACD/KOC (pH 7.4): 5121.14; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 62.42 cm3; (15)Molar Volume: 182.6 cm3; (16)Polarizability: 24.74×10-24cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Enthalpy of Vaporization: 58.16 kJ/mol; (19)Vapour Pressure: 9.93×10-5 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is harmful if swallowed. It is toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. Therefore, you should take the following instructions. You should avoid this chemical release to the environment. Refer to special instructions / safety data sheets.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(cc1)c2ccc(cc2)C
(2)InChI: InChI=1/C14H12O/c1-11-2-6-13(7-3-11)14-8-4-12(10-15)5-9-14/h2-10H,1H3
(3)InChIKey: BCINBWXQYBLSKO-UHFFFAOYAR