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Name |
3-Thiophenecarboxylicacid, 2,5-dichloro-, methyl ester |
EINECS | N/A |
CAS No. | 145129-54-0 | Density | 1.5 g/cm3 |
PSA | 54.54000 | LogP | 2.84150 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H4Cl2O2S | Boiling Point | 257.3 °C at 760 mmHg |
Molecular Weight | 211.069 | Flash Point | 109.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/38 |
Molecular Structure | Hazard Symbols | R36/38:Irritating to eyes and skin.; | |
Synonyms |
2,5-Dichlorothiophene-3-carboxylic acid methyl ester;Methyl 2,5-dichloro-3-thiophenecarboxylate; |
The 3-Thiophenecarboxylicacid, 2,5-dichloro-, methyl ester, with the CAS registry number 145129-54-0, is also known as 2,5-Dichlorothiophene-3-carboxylic acid methyl ester. This chemical's molecular formula is C6H4Cl2O2S and molecular weight is 211.07. What's more, its systematic name is methyl 2,5-dichlorothiophene-3-carboxylate.
Physical properties of 3-Thiophenecarboxylicacid, 2,5-dichloro-, methyl ester are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 92.42; (6)ACD/BCF (pH 7.4): 92.42; (7)ACD/KOC (pH 5.5): 888.6; (8)ACD/KOC (pH 7.4): 888.6; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.54 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 46.2 cm3; (15)Molar Volume: 140.7 cm3; (16)Polarizability: 18.31×10-24cm3; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.5 g/cm3; (19)Flash Point: 109.4 °C; (20)Enthalpy of Vaporization: 49.49 kJ/mol; (21)Boiling Point: 257.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0146 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1sc(Cl)c(C(=O)OC)c1
(2)Std. InChI: InChI=1S/C6H4Cl2O2S/c1-10-6(9)3-2-4(7)11-5(3)8/h2H,1H3
(3)Std. InChIKey: VCXPHMKCDRPIDG-UHFFFAOYSA-N