2,6-DICHLOROCINNAMIC ACID

The 2-Propenoic acid,3-(2,6-dichlorophenyl)-, with CAS registry number 5345-89-1, belongs to the following product category: Aromatic Cinnamic Acids, Esters and Derivatives. It has the systematic name of (2E)-3-(2,6-dichlorophenyl)prop-2-enoic acid. This chemical is a kind of white to light pink powder. What's more, its EINECS is 226-301-9.

Physical properties of 2-Propenoic acid,3-(2,6-dichlorophenyl)-: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/BCF (pH 5.5): 1.37; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.39; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.637; (13)Molar Refractivity: 53.49 cm³; (14)Molar Volume: 148.9 cm³; (15)Polarizability: 21.2×10^-24cm³; (16)Surface Tension: 54 dyne/cm; (17)Density: 1.457 g/cm³; (18)Flash Point: 169 °C; (19)Enthalpy of Vaporization: 63.42 kJ/mol; (20)Boiling Point: 355.8 °C at 760 mmHg; (21)Vapour Pressure: 1.12E-05 mmHg at 25°C.

Uses of 2-Propenoic acid,3-(2,6-dichlorophenyl)-: it can be used to produce 5-chloro-chromen-2-one. This reaction will need solvent methanol. The reaction time is 30 min. The yield is about 32%.

When you are using this chemical, please be cautious about it as the following:
The 2-Propenoic acid,3-(2,6-dichlorophenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(Cl)c1/C=C/C(=O)O
(2)InChI: InChI=1/C9H6Cl2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)/b5-4+
(3)InChIKey: OIPVGRCXMFBNAN-SNAWJCMRBV
(4)Std. InChI: InChI=1S/C9H6Cl2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)/b5-4+
(5)Std. InChIKey: OIPVGRCXMFBNAN-SNAWJCMRSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	intraperitoneal	> 250mg/kg (250mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ATAXIA BEHAVIORAL: REGIDITY	Indian Journal of Pharmaceutical Sciences. Vol. 49, Pg. 77, 1987.