CAS No.161712-75-0,3,4-DIFLUOROHYDROCINNAMIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	161712-75-0
Name:	3,4-DIFLUOROHYDROCINNAMIC ACID
Article Data:	3

Formula:	C₉H₈F₂O₂
Molecular Weight:	186.158
Synonyms:	3-(3,4-Difluorophenyl)propanoicacid;3-[3,4-Difluorophenyl]propionic acid;
Density:	1.312 g/cm³
Melting Point:	49-53 °C(lit.)
Boiling Point:	277.7 °C at 760 mmHg
Flash Point:	121.8 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	37.30000
LogP:	1.98200

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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