[1,1'-Biphenyl]-4-carboxylicacid, 4'-cyano- supplier

Name
4'-CYANO-BIPHENYL-4-CARBOXYLIC ACID
EINECS
CAS No. 5728-46-1
Article Data16
CAS DataBase
Density 1.3 g/cm³
Solubility
Melting Point 263-266 °C
Formula C₁₄H₉NO₂
Boiling Point 443 °C at 760 mmHg
Molecular Weight 223.231
Flash Point 221.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Biphenylcarboxylicacid, 4'-cyano- (7CI,8CI);4'-Cyano-4-biphenylcarboxylic acid;4'-Cyano-4-diphenylcarboxylic acid;4'-Cyanobiphenyl-4-carboxylic acid;4'-Cyano[1,1'-biphenyl]-4-carboxylic acid;4'-Cyano-biphenyl-4-carboxylic acid;
PSA 61.09000
LogP 2.92348

[1,1'-Biphenyl]-4-carboxylicacid, 4'-cyano- Specification

This chemical is called [1,1'-Biphenyl]-4-carboxylicacid, 4'-cyano-, and it can also be named as 4'-Cyano-biphenyl-4-carboxylic acid. With the molecular formula of C₁₄H₉NO₂, its molecular weight is 223.23. The CAS registry number of this chemical is 5728-46-1, and its systematic name is 4'-Cyanobiphenyl-4-carboxylic acid.

Other characteristics of the [1,1'-Biphenyl]-4-carboxylicacid, 4'-cyano- can be summarised as followings: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 0.11; (5)ACD/BCF (pH 5.5): 3.9; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.27; (8)ACD/KOC (pH 7.4): 1.22; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 50.09 Å²; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 62.3 cm³; (15)Molar Volume: 170.7 cm³; (16)Polarizability: 24.69×10^-24cm³; (17)Surface Tension: 65.3 dyne/cm; (18)Density: 1.3 g/cm³; (19)Flash Point: 221.7 °C; (20)Enthalpy of Vaporization: 73.83 kJ/mol; (21)Boiling Point: 443 °C at 760 mmHg; (22)Vapour Pressure: 1.26E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1ccc(cc1)c2ccc(cc2)C(=O)O
2.InChI: InChI=1/C14H9NO2/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16)17/h1-8H,(H,16,17)
3.InChIKey: KBNUZLPQQMVGPR-UHFFFAOYAR

Product Name

4'-CYANO-BIPHENYL-4-CARBOXYLIC ACID

[1,1'-Biphenyl]-4-carboxylicacid, 4'-cyano- Specification

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