Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-(2,4-Difluorophenyl)-4-oxobutanoic acid |
EINECS | N/A |
CAS No. | 110931-77-6 | Density | 1.363 g/cm3 |
PSA | 54.37000 | LogP | 2.01230 |
Solubility | N/A | Melting Point |
115.0 to 119.0 °C |
Formula | C10H8F2O3 | Boiling Point | 366.7 °C at 760 mmHg |
Molecular Weight | 214.169 | Flash Point | 175.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-(2,4-Difluorophenyl)-4-oxobutanoicacid; |
Article Data | 6 |
This chemical is called 4-(2,4-Difluorophenyl)-4-oxobutanoic acid, and it can also be named as 3-(2,4-Difluorobenzoyl)propionic acid. With the molecular formula of C10H8F2O3, its molecular weight is 214.17. The CAS registry number of this chemical is 110931-77-6.
Other characteristics of the 4-(2,4-Difluorophenyl)-4-oxobutanoic acid can be summarised as followings: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.19; (4)ACD/LogD (pH 7.4): -1.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.39; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 47.09 cm3; (15)Molar Volume: 157 cm3; (16)Polarizability: 18.67×10-24cm3; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.363 g/cm3; (19)Flash Point: 175.6 °C; (20)Enthalpy of Vaporization: 64.69 kJ/mol; (21)Boiling Point: 366.7 °C at 760 mmHg; (22)Vapour Pressure: 5.05E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccc(F)cc1F)CCC(=O)O
2.InChI: InChI=1/C10H8F2O3/c11-6-1-2-7(8(12)5-6)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15)
3.InChIKey: OKYUHFSCTFNDFB-UHFFFAOYAD