[1,1'-Biphenyl]-4-carboxaldehyde,3',5'-difluoro- supplier

Name
3',5'-DIFLUOROBIPHENYL-4-CARBALDEHYDE
EINECS
CAS No. 221018-03-7
Article Data6
CAS DataBase
Density 1.248 g/cm³
Solubility
Melting Point
Formula C₁₃H₈F₂O
Boiling Point 322.8 °C at 760 mmHg
Molecular Weight 218.203
Flash Point 123.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(3,5-Difluorophenyl)benzaldehyde;3',5'-Difluorobiphenyl-4-carbaldehyde;
PSA 17.07000
LogP 3.44430

[1,1'-Biphenyl]-4-carboxaldehyde,3',5'-difluoro- Specification

This chemical is called [1,1'-Biphenyl]-4-carboxaldehyde,3',5'-difluoro-, and it can also be named as 4-(3,5-Difluorophenyl)benzaldehyde. With the molecular formula of C₁₃H₈F₂O, its molecular weight is 218.2. The CAS registry number of this chemical is 221018-03-7. Its systematic name is 3',5'-Difluorobiphenyl-4-carbaldehyde.

Other characteristics of the [1,1'-Biphenyl]-4-carboxaldehyde,3',5'-difluoro- can be summarised as followings: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.37; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 214.52; (6)ACD/BCF (pH 7.4): 214.52; (7)ACD/KOC (pH 5.5): 1623.58; (8)ACD/KOC (pH 7.4): 1623.58; (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: 1.572; (14)Molar Refractivity: 57.58 cm³; (15)Molar Volume: 174.8 cm³; (16)Polarizability: 22.82×10^-24cm³; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.248 g/cm³; (19)Flash Point: 123.8 °C; (20)Enthalpy of Vaporization: 56.47 kJ/mol; (21)Boiling Point: 322.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000272 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc2cc(c1ccc(C=O)cc1)cc(F)c2
2.InChI: InChI=1/C13H8F2O/c14-12-5-11(6-13(15)7-12)10-3-1-9(8-16)2-4-10/h1-8H
3.InChIKey: KKOQMGVTGKBJBL-UHFFFAOYAR

Product Name

3',5'-DIFLUOROBIPHENYL-4-CARBALDEHYDE

[1,1'-Biphenyl]-4-carboxaldehyde,3',5'-difluoro- Specification

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