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3-(3,4-Difluorophenyl)propanoic acid

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Name

3-(3,4-Difluorophenyl)propanoic acid

EINECS N/A
CAS No. 161712-75-0 Density 1.312 g/cm3
PSA 37.30000 LogP 1.98200
Solubility N/A Melting Point 49-53 °C(lit.)
Formula C9H8F2O2 Boiling Point 277.7 °C at 760 mmHg
Molecular Weight 186.158 Flash Point 121.8 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 161712-75-0 (3,4-DIFLUOROHYDROCINNAMIC ACID) Hazard Symbols IrritantXi
Synonyms

3-(3,4-Difluorophenyl)propanoicacid;3-[3,4-Difluorophenyl]propionic acid;

Article Data 3

3-(3,4-Difluorophenyl)propanoic acid Specification

The Benzenepropanoic acid,3,4-difluoro- is an organic compound with the formula C9H8F2O2. The IUPAC name of this chemical is 3-(3,4-Difluorophenyl)propanoic acid. With the CAS registry number 161712-75-0, it is also named as 3,4-Difluorobenzenepropanoic acid. The categories of the product are Aromatic Cinnamic Acids, Esters and Derivatives. Besides, it should be stored at in a cool, sealed, dry and well-ventilated place.

The physical properties of Benzenepropanoic acid,3,4-difluoro- are: (1)ACD/LogP: 1.85; (2)ACD/LogD (pH 5.5): 0.87; (3)ACD/LogD (pH 7.4): -0.93; (4)ACD/BCF (pH 5.5): 1.57; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 25.3; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.503; (13)Molar Refractivity: 41.98 cm3; (14)Molar Volume: 141.8 cm3; (15)Polarizability: 16.64×10-24 cm3; (16)Surface Tension: 41.4 dyne/cm; (17)Density: 1.312 g/cm3; (18)Flash Point: 121.8 °C; (19)Enthalpy of Vaporization: 54.54 kJ/mol; (20)Boiling Point: 277.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00213 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. 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: Fc1ccc(cc1F)CCC(=O)O
(2)InChI: InChI=1/C9H8F2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
(3)InChIKey: UOZIYCHJMUNLIG-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H8F2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
(5)Std. InChIKey: UOZIYCHJMUNLIG-UHFFFAOYSA-N

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