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Acetic acid,2,2-bis([1,1'-biphenyl]-4-yloxy)- CAS NO.6345-78-4
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Keywords
- 2,2-bis(4-phenylphenoxy)acetic acid
- NSC 43592
- Acetic acid, bis(4-biphenylyloxy)-(8CI)
Quick Details
- ProName: Acetic acid,2,2-bis([1,1'-biphenyl]-4-...
- CasNo: 6345-78-4
- Application: The CAS register number of Acetic acid...
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- Purity: 99
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Superiority
The CAS register number of Acetic acid,2,2-bis([1,1'-biphenyl]-4-yloxy)- is 6345-78-4. It also can be called as 2,2-bis(4-phenylphenoxy)acetic acid and the systematic name about this chemical is bis(biphenyl-4-yloxy)acetic acid. The molecular formula about this chemical is C26H20O4 and the molecular weight is 396.4346.
Physical properties about Acetic acid,2,2-bis([1,1'-biphenyl]-4-yloxy)- are: (1)ACD/LogP: 6.59; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.625; (8)Molar Refractivity: 114.52 cm3; (9)Molar Volume: 323.9 cm3; (10)Polarizability: 45.39x10-24cm3; (11)Surface Tension: 50 dyne/cm; (12)Density: 1.223 g/cm3; (13)Flash Point: 210.7 °C; (14)Enthalpy of Vaporization: 95.15 kJ/mol; (15)Boiling Point: 609.2 °C at 760 mmHg; (16)Vapour Pressure: 1.08E-15 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(Oc2ccc(c1ccccc1)cc2)Oc3ccc(cc3)c4ccccc4
(2)InChI: InChI=1/C26H20O4/c27-25(28)26(29-23-15-11-21(12-16-23)19-7-3-1-4-8-19)30-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18,26H,(H,27,28)
(3)InChIKey: SROPBHLMQPVUCS-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C26H20O4/c27-25(28)26(29-23-15-11-21(12-16-23)19-7-3-1-4-8-19)30-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18,26H,(H,27,28)
(5)Std. InChIKey: SROPBHLMQPVUCS-UHFFFAOYSA-N
Details
The CAS register number of Acetic acid,2,2-bis([1,1'-biphenyl]-4-yloxy)- is 6345-78-4. It also can be called as 2,2-bis(4-phenylphenoxy)acetic acid and the systematic name about this chemical is bis(biphenyl-4-yloxy)acetic acid. The molecular formula about this chemical is C26H20O4 and the molecular weight is 396.4346.
Physical properties about Acetic acid,2,2-bis([1,1'-biphenyl]-4-yloxy)- are: (1)ACD/LogP: 6.59; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.625; (8)Molar Refractivity: 114.52 cm3; (9)Molar Volume: 323.9 cm3; (10)Polarizability: 45.39x10-24cm3; (11)Surface Tension: 50 dyne/cm; (12)Density: 1.223 g/cm3; (13)Flash Point: 210.7 °C; (14)Enthalpy of Vaporization: 95.15 kJ/mol; (15)Boiling Point: 609.2 °C at 760 mmHg; (16)Vapour Pressure: 1.08E-15 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(Oc2ccc(c1ccccc1)cc2)Oc3ccc(cc3)c4ccccc4
(2)InChI: InChI=1/C26H20O4/c27-25(28)26(29-23-15-11-21(12-16-23)19-7-3-1-4-8-19)30-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18,26H,(H,27,28)
(3)InChIKey: SROPBHLMQPVUCS-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C26H20O4/c27-25(28)26(29-23-15-11-21(12-16-23)19-7-3-1-4-8-19)30-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18,26H,(H,27,28)
(5)Std. InChIKey: SROPBHLMQPVUCS-UHFFFAOYSA-N