Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Thiophenesulfonylchloride, 5-[[(4-chlorobenzoyl)amino]methyl]- |
EINECS | N/A |
CAS No. | 166964-34-7 | Density | 1.532 g/cm3 |
PSA | 99.86000 | LogP | 4.73070 |
Solubility | N/A | Melting Point |
138 °C |
Formula | C12H9Cl2NO3S2 | Boiling Point | 557.1 °C at 760 mmHg |
Molecular Weight | 350.24 | Flash Point | 290.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
C:Corrosive; |
|
Molecular Structure | Hazard Symbols | C | |
Synonyms |
5-(((4-Chlorobenzoyl)amino)methyl)-2-thiophenesulfonylchloride;5-[(4-Chlorobenzamido)methyl]thiophene-2-sulfonyl chloride;5-[N-(4-Chlorobenzoyl)aminomethyl]thiophene-2-sulfonylchloride;5-[[[1-(4-Chlorophenyl)methanoyl]amino]methyl]thiophene-2-sulfonylchloride; |
Article Data | 1 |
The 2-Thiophenesulfonylchloride, 5-[[(4-chlorobenzoyl)amino]methyl]-, with CAS registry number 166964-34-7, has the systematic name of 5-({[(4-chlorophenyl)carbonyl]amino}methyl)thiophene-2-sulfonyl chloride. This chemical may destroy living tissue on contact. And the chemical formula of this chemical is C12H9Cl2NO3S2.
Physical properties of 2-Thiophenesulfonylchloride, 5-[[(4-chlorobenzoyl)amino]methyl]-: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 147.83; (6)ACD/BCF (pH 7.4): 147.83; (7)ACD/KOC (pH 5.5): 1243.71; (8)ACD/KOC (pH 7.4): 1243.71; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 91.07 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 81.1 cm3; (15)Molar Volume: 228.5 cm3; (16)Polarizability: 32.15×10-24cm3; (17)Surface Tension: 57.6 dyne/cm; (18)Density: 1.532 g/cm3; (19)Flash Point: 290.7 °C; (20)Enthalpy of Vaporization: 83.88 kJ/mol; (21)Boiling Point: 557.1 °C at 760 mmHg; (22)Vapour Pressure: 1.91E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1sc(cc1)CNC(=O)c2ccc(Cl)cc2
(2)InChI: InChI=1/C12H9Cl2NO3S2/c13-9-3-1-8(2-4-9)12(16)15-7-10-5-6-11(19-10)20(14,17)18/h1-6H,7H2,(H,15,16)
(3)InChIKey: HWAXMFYECKQLDX-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C12H9Cl2NO3S2/c13-9-3-1-8(2-4-9)12(16)15-7-10-5-6-11(19-10)20(14,17)18/h1-6H,7H2,(H,15,16)
(5)Std. InChIKey: HWAXMFYECKQLDX-UHFFFAOYSA-N