Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Benzoic acid,3,4-dichloro-, methyl ester

Related Products

Hot Products

Name

Benzoic acid,3,4-dichloro-, methyl ester

EINECS N/A
CAS No. 2905-68-2 Density 1.355 g/cm3
PSA 26.30000 LogP 2.78000
Solubility N/A Melting Point 44 °C
Formula C8H6Cl2O2 Boiling Point 264 °C at 760 mmHg
Molecular Weight 205.04 Flash Point 112.6 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2905-68-2 (METHYL 3,4-DICHLOROBENZOATE) Hazard Symbols N/A
Synonyms

Methyl3,4-dichlorobenzoate;NSC 6980;NSC 216080;methyl 3,4-dichlorobenzoate;Benzoic acid, 3,4-dichloro-, methyl ester;

Article Data 19

Benzoic acid,3,4-dichloro-, methyl ester Specification

The Benzoic acid,3,4-dichloro-, methyl ester, with the CAS registry number 2905-68-2, has the systematic name and IUPAC name of methyl 3,4-dichlorobenzoate. It belongs to the product category of Aromatic Esters. And the molecular formula of the chemical is C8H6Cl2O2.

The characteristics of Benzoic acid,3,4-dichloro-, methyl ester are as followings: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 186.68; (6)ACD/BCF (pH 7.4): 186.68; (7)ACD/KOC (pH 5.5): 1469.82; (8)ACD/KOC (pH 7.4): 1469.82; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 47.81 cm3; (15)Molar Volume: 151.2 cm3; (16)Polarizability: 18.95×10-24cm3; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 1.355 g/cm3; (19)Flash Point: 112.6 °C; (20)Enthalpy of Vaporization: 50.19 kJ/mol; (21)Boiling Point: 264 °C at 760 mmHg; (22)Vapour Pressure: 0.00995 mmHg at 25°C. 

Preparation of Benzoic acid,3,4-dichloro-, methyl ester: This chemical can be prepared by trichloroacetic acid methyl ester and 3,4-dichloro-benzoic acid. The reaction will need reagent K2CO3 and 18-crown-6. The reaction time is 2 hours with temperature of 90-150°C, and the yield is about 90%. 

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: Clc1ccc(C(=O)OC)cc1Cl
(2)InChI: InChI=1/C8H6Cl2O2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3
(3)InChIKey: WICGATIORFSOJL-UHFFFAOYAQ

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 2905-68-2