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

Name
3-(2',4'-DIFLUOROBENZOYL)PROPIONIC ACID
EINECS
CAS No. 110931-77-6
Article Data6
CAS DataBase
Density 1.363 g/cm³
Solubility
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
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(2,4-Difluorophenyl)-4-oxobutanoicacid;
PSA 54.37000
LogP 2.01230

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

Product Name

3-(2',4'-DIFLUOROBENZOYL)PROPIONIC ACID

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

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