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| CAS No.: | 34981-38-9 |
|---|---|
| Name: | 4-chlorotoluene-2-sulphonyl chloride |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C7H6Cl2OS |
| Molecular Weight: | 225.095 |
| Synonyms: | o-Toluenesulfonylchloride, 5-chloro- (3CI);2-Methyl-5-chlorobenzenesulfonyl chloride;3-Chloro-6-methylbenzenesulfonyl chloride;5-Chloro-2-methylbenzenesulfonylchloride;5-Chloro-o-toluenesulfonyl chloride;NSC 295387; |
| EINECS: | 252-306-0 |
| Density: | 1.458g/cm3 |
| Boiling Point: | 314.9°Cat760mmHg |
| Flash Point: | 144.2°C |
| Solubility: | Slightly soluble in water. |
| PSA: | 42.52000 |
| LogP: | 3.65670 |
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Specification
The 4-Chlorotoluene-2-sulphonyl chloride , with cas registry number of 34981-38-9, is also called Benzenesulfonyl chloride, 5-chloro-2-methyl- . Its EINECS registry number is 252-306-0. Its IUPAC name and systematic name are called the same which is 5-chloro-2-methylbenzenesulfonyl chloride . Its appearance is light yellow liquid.
Physical properties of 4-Chlorotoluene-2-sulphonyl chloride are: (1) ACD/LogP: 3.41 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 3.41 ; (4) ACD/LogD (pH 7.4): 3.41 ; (5) ACD/BCF (pH 5.5): 230.49 ; (6) ACD/BCF (pH 7.4): 230.49 ; (7) ACD/KOC (pH 5.5): 1709.19 ; (8) ACD/KOC (pH 7.4): 1709.19 ; (9) #H bond acceptors: 2 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 1 ; (12) Index of Refraction: 1.559 ; (13) Molar Refractivity: 49.85 cm3 ; (14) Molar Volume: 154.3 cm3 ; (15) Surface Tension: 44 dyne/cm ; (16) Density: 1.458 g/cm3 ; (17) Flash Point: 144.2 °C ; (18) Enthalpy of Vaporization: 53.39 kJ/mol ; (19) Boiling Point: 314.9 °C at 760 mmHg ; (20) Vapour Pressure: 0.000836 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES:Clc1cc(c(cc1)C)S(Cl)(=O)=O;
(2) InChI:InChI=1/C7H6Cl2O2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,1H3;
(3) InChIKey:VHBFBNCERXCECQ-UHFFFAOYAX