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Name |
[1,1'-Biphenyl]-3-carboxylicacid, 3'-fluoro- |
EINECS | N/A |
CAS No. | 168619-04-3 | Density | 1.261 g/cm3 |
PSA | 37.30000 | LogP | 3.19090 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H9FO2 | Boiling Point | 392.9 °C at 760 mmHg |
Molecular Weight | 216.212 | Flash Point | 191.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3'-Fluoro-biphenyl-3-carboxylic acid;3'-Fluorobiphenyl-3-carboxylic acid;3'-Fluoro-[1,1'-biphenyl]-3-carboxylic acid; |
Article Data | 2 |
This chemical is called [1,1'-Biphenyl]-3-carboxylicacid, 3'-fluoro-, and it can also be named as 3'-Fluoro-biphenyl-3-carboxylic acid. With the molecular formula of C13H9FO2, its molecular weight is 216.21. The CAS registry number of this chemical is 168619-04-3, and its product category is pharmacetical. Additionally, the systematic name of this chemical is 3'-Fluorobiphenyl-3-carboxylic acid.
Other characteristics of the [1,1'-Biphenyl]-3-carboxylicacid, 3'-fluoro- can be summarised as follows: (1)ACD/LogP: 4.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 26.48; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 140.19; (8)ACD/KOC (pH 7.4): 4.62; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 57.76 cm3; (15)Molar Volume: 171.4 cm3; (16)Polarizability: 22.9×10-24 cm3; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.261 g/cm3; (19)Flash Point: 191.4 °C; (20)Enthalpy of Vaporization: 67.78 kJ/mol; (21)Boiling Point: 392.9 °C at 760 mmHg; (22)Vapour Pressure: 7.08E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as follows: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Fc2cc(c1cccc(C(=O)O)c1)ccc2
2.InChI: InChI=1/C13H9FO2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8H,(H,15,16)
3.InChIKey: MZZYPWIFSCZUHN-UHFFFAOYAM