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CAS No.: | 35112-27-7 |
---|---|
Name: | Ethyl 2,5-dichlorobenzoate |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H8Cl2O2 |
Molecular Weight: | 219.067 |
Synonyms: | Ethyl 2,5-dichlorobenzoate; |
EINECS: | 252-373-6 |
Density: | 1.305 g/cm3 |
Boiling Point: | 281.4 °C at 760 mmHg |
Flash Point: | 116.8 °C |
Hazard Symbols: | R36/38:Irritating to eyes and skin.; |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 26.30000 |
LogP: | 3.17010 |
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The Benzoic acid, 2, 5-dichloro-, ethyl ester, with the CAS registry number of 35112-27-7, is also known as 2, 5-Dichlorobenzoic acid ethyl ester. It belongs to the product categories of Aromatic Esters; Benzoic Acid; Acids & Esters; Chlorine Compounds. Its EINECS registry number is 252-373-6. This chemical's molecular formula is C9H8Cl2O2 and molecular weight is 219.06. What's more, its IUPAC name is Ethyl 2, 5-dichlorobenzoate. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about Benzoic acid, 2, 5-dichloro-, ethyl ester are: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.59; (5)ACD/BCF (pH 5.5): 317.8; (6)ACD/BCF (pH 7.4): 317.8; (7)ACD/KOC (pH 5.5): 2151.04; (8)ACD/KOC (pH 7.4): 2151.04; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 52.44 cm3; (15)Molar Volume: 167.7 cm3; (16)Polarizability: 20.79×10-24 cm3; (17)Surface Tension: 40.6 dyne/cm; (18)Density: 1.305 g/cm3; (19)Flash Point: 116.8 °C; (20)Enthalpy of Vaporization: 52.02 kJ/mol; (21)Boiling Point: 281.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00357 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce Methyl 2, 5-dichlorobenzoate. This reaction needs solvent Ethyl acetate. The reaction time is 2 hours with reaction temperature of 20 °C. The yield is about 56 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. 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: O=C(OCC)c1cc(Cl)ccc1Cl
(2) InChI: InChI=1/C9H8Cl2O2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3
(3) InChIKey: JSZYWIKNIZKJAN-UHFFFAOYAP