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Benzenepropanoic acid,2,6-dichloro-

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Name

Benzenepropanoic acid,2,6-dichloro-

EINECS N/A
CAS No. 51656-68-9 Density 1.392 g/cm3
PSA 37.30000 LogP 3.01060
Solubility N/A Melting Point 95 °C
Formula C9H8Cl2O2 Boiling Point 336.6 °C at 760 mmHg
Molecular Weight 219.067 Flash Point 157.4 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 51656-68-9 (3-(2,6-DICHLOROPHENYL)PROPIONIC ACID) Hazard Symbols IrritantXi
Synonyms

2,6-Dichlorobenzenepropanoicacid;3-(2,6-Dichlorophenyl)propanoic acid;3-(2,6-dichlorophenyl)propanoic acid;Benzenepropanoic acid, 2,6-dichloro-;

 

Benzenepropanoic acid,2,6-dichloro- Specification

The Benzenepropanoic acid,2,6-dichloro-, with the CAS registry number 51656-68-9, has the systematic name of 3-(2,6-dichlorophenyl)propanoic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H8Cl2O2.

The characteristics of Benzenepropanoic acid,2,6-dichloro- are as followings: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 0.25; (5)ACD/BCF (pH 5.5): 12.38; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 110.38; (8)ACD/KOC (pH 7.4): 1.73; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 51.78 cm3; (15)Molar Volume: 157.2 cm3; (16)Polarizability: 20.53×10-24cm3; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.392 g/cm3; (19)Flash Point: 157.4 °C; (20)Enthalpy of Vaporization: 61.2 kJ/mol; (21)Boiling Point: 336.6 °C at 760 mmHg; (22)Vapour Pressure: 4.33E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cccc(Cl)c1CCC(=O)O
(2)InChI: InChI=1/C9H8Cl2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-3H,4-5H2,(H,12,13)
(3)InChIKey: IDEOVPXKPDUXTP-UHFFFAOYAW

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