Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 3-(4-chlorosulfonyl)phenylpropionate |
EINECS | N/A |
CAS No. | 374537-95-8 | Density | 1.344 g/cm3 |
PSA | 68.82000 | LogP | 2.80050 |
Solubility | N/A | Melting Point |
64-65 °C |
Formula | C10H11ClO4S | Boiling Point | 352 °C at 760 mmHg |
Molecular Weight | 262.714 | Flash Point | 166.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 34 |
Molecular Structure | Hazard Symbols | R34:Causes burns.; | |
Synonyms |
3-(4-Chlorosulfonylphenyl)propionicacid methyl ester;Methyl 3-(4-chlorosulfonylphenyl)propionate;Methyl4-chlorosulfonylbenzenepropanoate; |
Article Data | 2 |
The Methyl 3-(4-chlorosulfonyl)phenylpropionate, with the CAS registry number 374537-95-8, is also known as Benzenepropanoic acid, 4-(chlorosulfonyl)-, methyl ester. This chemical's molecular formula is C10H11ClO4S and molecular weight is 262.71. Its systematic name is called methyl 3-[4-(chlorosulfonyl)phenyl]propanoate.
Physical properties of Methyl 3-(4-chlorosulfonyl)phenylpropionate: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.45; (6)ACD/BCF (pH 7.4): 20.45; (7)ACD/KOC (pH 5.5): 301.89; (8)ACD/KOC (pH 7.4): 301.89; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.534; (13)Molar Refractivity: 60.77 cm3; (14)Molar Volume: 195.4 cm3; (15)Surface Tension: 45 dyne/cm; (16)Density: 1.344 g/cm3; (17)Flash Point: 166.7 °C; (18)Enthalpy of Vaporization: 59.68 kJ/mol; (19)Boiling Point: 352 °C at 760 mmHg; (20)Vapour Pressure: 3.96E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c1ccc(CCC(=O)OC)cc1
(2)InChI: InChI=1/C10H11ClO4S/c1-15-10(12)7-4-8-2-5-9(6-3-8)16(11,13)14/h2-3,5-6H,4,7H2,1H3
(3)InChIKey: MLBUSWRSGABXFY-UHFFFAOYAJ