Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzenesulfonylchloride, 3-chloro-2-methyl- |
EINECS | N/A |
CAS No. | 80563-86-6 | Density | 1.458 g/cm3 |
PSA | 42.52000 | LogP | 3.65670 |
Solubility | N/A | Melting Point |
71-74 °C(lit.) |
Formula | C7H6Cl2O2S | Boiling Point | 312.6 °C at 760 mmHg |
Molecular Weight | 225.095 | Flash Point | 142.9 °C |
Transport Information | UN 3261 8/PG 2 | Appearance | white to light yellow crystals |
Safety | 26-36/37/39-45-39-37-36 | Risk Codes | 34 |
Molecular Structure | Hazard Symbols | C,Xi | |
Synonyms |
o-Toluenesulfonylchloride, 3-chloro- (7CI);2-Methyl-3-chlorobenzenesulfonyl chloride;3-Chloro-2-methylbenzene-1-sulfonyl chloride;3-Chloro-2-methylbenzenesulfonylchloride;3-Chloro-2-methylphenylsulfonyl chloride; |
Article Data | 2 |
The CAS register number of Benzenesulfonylchloride, 3-chloro-2-methyl- is 80563-86-6. It also can be called as 3-Chloro-2-Methyl-Benzenesulfonyl Chloride and the IUPAC name about this chemical is 3-chloro-2-methylbenzenesulfonyl chloride. The molecular formula about this chemical is C7H6Cl2O2S and molecular weight is 225.09. It belongs to the following product categories which include Sulfonylhalide; Benzenesulfonyl chloride; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds and so on.
Physical properties about Benzenesulfonylchloride, 3-chloro-2-methyl- are: (1)ACD/LogP: 3.41; (2)ACD/LogD (pH 5.5): 3.41; (3)ACD/LogD (pH 7.4): 3.41; (4)ACD/BCF (pH 5.5): 230.49; (5)ACD/BCF (pH 7.4): 230.49; (6)ACD/KOC (pH 5.5): 1709.19; (7)ACD/KOC (pH 7.4): 1709.19; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.52Å2; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 49.85 cm3; (13)Molar Volume: 154.3 cm3; (14)Polarizability: 19.76x10-24cm3; (15)Surface Tension: 44 dyne/cm; (16)Enthalpy of Vaporization: 53.15 kJ/mol; (17)Boiling Point: 312.6 °C at 760 mmHg; (18)Vapour Pressure: 0.000963 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(c1C)S(Cl)(=O)=O
(2)InChI: InChI=1/C7H6Cl2O2S/c1-5-6(8)3-2-4-7(5)12(9,10)11/h2-4H,1H3
(3)InChIKey: ZSIYKAQPQRTBPF-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H6Cl2O2S/c1-5-6(8)3-2-4-7(5)12(9,10)11/h2-4H,1H3
(5)Std. InChIKey: ZSIYKAQPQRTBPF-UHFFFAOYSA-N