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CAS No.: | 6291-02-7 |
---|---|
Name: | 4-CHLORO-3-METHYL-BENZENESULFONYL CHLORIDE |
Molecular Structure: | |
Formula: | C7H6Cl2O2S |
Molecular Weight: | 225.095 |
Synonyms: | 4-Chloro-3-methylbenzenesulfonyl chloride;NSC 4610;m-Toluenesulfonylchloride, 4-chloro- (8CI);4-chloro-3-methylbenzenesulfonyl chloride;Benzenesulfonyl chloride, 4-chloro-3-methyl-; |
Density: | 1.458 g/cm3 |
Boiling Point: | 297.5 °C at 760 mmHg |
Flash Point: | 133.7 °C |
PSA: | 42.52000 |
LogP: | 3.65670 |
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The Benzenesulfonylchloride, 4-chloro-3-methyl-, with the CAS registry number 6291-02-7, has the systematic name of 4-chloro-3-methylbenzenesulfonyl chloride. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C7H6Cl2O2S.
The physical properties of Benzenesulfonylchloride, 4-chloro-3-methyl- are as following: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 42.52 Å2; (7)Index of Refraction: 1.559; (8)Molar Refractivity: 49.85 cm3; (9)Molar Volume: 154.3 cm3; (10)Polarizability: 19.76×10-24cm3; (11)Surface Tension: 44 dyne/cm; (12)Density: 1.458 g/cm3; (13)Flash Point: 133.7 °C; (14)Enthalpy of Vaporization: 51.58 kJ/mol; (15)Boiling Point: 297.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00238 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1C)S(Cl)(=O)=O
(2)InChI: InChI=1/C7H6Cl2O2S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,1H3
(3)InChIKey: WEPYREBDJIVOHD-UHFFFAOYAB