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| CAS No.: | 52988-34-8 |
|---|---|
| Name: | 4'-Methoxybiphenyl-4-carbaldehyde |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C14H12O2 |
| Molecular Weight: | 212.248 |
| Synonyms: | 4-Biphenylcarboxaldehyde,4'-methoxy- (6CI);4-(4-Methoxyphenyl)benzaldehyde;4'-Methoxy-[1,1'-biphenyl]-4-carboxaldehyde;4'-Methoxybiphenyl-4-carboxaldehyde; |
| Density: | 1.114 g/cm3 |
| Melting Point: | 98-100°C |
| Boiling Point: | 363.5 °C at 760 mmHg |
| Flash Point: | 168.2 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 26.30000 |
| LogP: | 3.17470 |
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- Total:25 Page 1 of 1 1
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Specification
The (1,1'-Biphenyl)-4-Carboxaldehyde,4'-methoxy-, with the CAS registry number 52988-34-8, has the systematic name 4'-methoxybiphenyl-4-carbaldehyde. Its molecular formula is C14H12O2 and its molecular weight is 212.2439. For it's irritant, be careful if you use it.
Other characteristics of the (1,1'-Biphenyl)-4-Carboxaldehyde,4'-methoxy- can be summarised as followings: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.64; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 345.52; (6)ACD/BCF (pH 7.4): 345.52; (7)ACD/KOC (pH 5.5): 2283.73; (8)ACD/KOC (pH 7.4): 2283.73; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 64.27 cm3; (15)Molar Volume: 190.3 cm3; (16)Polarizability: 25.48×10-24cm3; (17)Surface Tension: 41.2 dyne/cm; (18)Density: 1.114 g/cm3; (19)Flash Point: 168.2 °C; (20)Enthalpy of Vaporization: 60.96 kJ/mol; (21)Boiling Point: 363.5 °C at 760 mmHg; (22)Vapour Pressure: 1.8E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=Cc2ccc(c1ccc(OC)cc1)cc2
2.InChI: InChI=1/C14H12O2/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-10H,1H3
3.InChIKey: JTTIGLYPLMYHAT-UHFFFAOYAF