Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzenemethanesulfonylchloride, 2-methyl- |
EINECS | N/A |
CAS No. | 92614-55-6 | Density | 1.325 g/cm3 |
PSA | 42.52000 | LogP | 3.14440 |
Solubility | N/A | Melting Point |
52 °C |
Formula | C8H9ClO2S | Boiling Point | 307.9 °C at 760 mmHg |
Molecular Weight | 204.677 | Flash Point | 140 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | C,Xn | |
Synonyms |
(2-Methylphenyl)methanesulfonylchloride;2-Methylbenzylsulfonyl chloride; |
Article Data | 8 |
This chemical is called Benzenemethanesulfonylchloride, 2-methyl-, and its systematic name is (2-methylphenyl)methanesulfonyl chloride. With the molecular formula of C8H9ClO2S, its molecular weight is 204.67. The CAS registry number of this chemical is 92614-55-6.
Other characteristics of the Benzenemethanesulfonylchloride, 2-methyl- can be summarised as followings: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.51; (6)ACD/BCF (pH 7.4): 44.51; (7)ACD/KOC (pH 5.5): 526.69; (8)ACD/KOC (pH 7.4): 526.69; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 49.65 cm3; (15)Molar Volume: 154.4 cm3; (16)Polarizability: 19.68×10-24cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.325 g/cm3; (19)Flash Point: 140 °C; (20)Enthalpy of Vaporization: 52.67 kJ/mol; (21)Boiling Point: 307.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00128 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(Cl)(=O)Cc1ccccc1C
2.InChI: InChI=1/C8H9ClO2S/c1-7-4-2-3-5-8(7)6-12(9,10)11/h2-5H,6H2,1H3
3.InChIKey: NDMREUGSHNSYBI-UHFFFAOYAZ