Benzenepropanoic acid,2,6-dichloro- supplier

Name
3-(2,6-DICHLOROPHENYL)PROPIONIC ACID
EINECS
CAS No. 51656-68-9
Density 1.392 g/cm³
Solubility
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
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2,6-Dichlorobenzenepropanoicacid;3-(2,6-Dichlorophenyl)propanoic acid;3-(2,6-dichlorophenyl)propanoic acid;Benzenepropanoic acid, 2,6-dichloro-;
PSA 37.30000
LogP 3.01060

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

Product Name

3-(2,6-DICHLOROPHENYL)PROPIONIC ACID

Benzenepropanoic acid,2,6-dichloro- Specification

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