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4-(2,4-Difluorophenyl)-4-oxobutanoic acid

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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 Molecular Structure of 110931-77-6 (3-(2',4'-DIFLUOROBENZOYL)PROPIONIC ACID) Hazard Symbols IrritantXi
Synonyms

4-(2,4-Difluorophenyl)-4-oxobutanoicacid;

Article Data 6

4-(2,4-Difluorophenyl)-4-oxobutanoic acid Specification

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

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