Basic information
- Name:
4-chloro-2-methyl-benzenesulfonyl chloride
- CAS No.:
56157-92-7
- Molecular Structure:
- Formula:
- C7H6Cl2O2S
- Molecular Weight:
- 225.0923
- Synonyms:
- 4-CHLORO-2-METHYLBENZENESULPHONYL CHLORIDE;4-Chloro-2-Methylbenzenesulfonyl Chloride;
- Density:
- 1.458g/cm3
- Boiling Point:
- 295.3°Cat760mmHg
- Flash Point:
- 132.4°C
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Specification
The 4-chloro-2-methyl-benzenesulfonyl chloride, with the cas registry number 56157-92-7, has the chemical formular of C7H6Cl2O2S.
The characteristics of this chemical are as follows: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.3; (4)ACD/LogD (pH 7.4): 3.3; (5)ACD/BCF (pH 5.5): 191.13; (6)ACD/BCF (pH 7.4): 191.13; (7)ACD/KOC (pH 5.5): 1494.8; (8)ACD/KOC (pH 7.4): 1494.8; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 49.85 cm3; (15)Molar Volume: 154.3 cm3; (16)Polarizability: 19.76 ×10-24 cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.458 g/cm3; (19)Flash Point: 132.4 °C; (20)Enthalpy of Vaporization: 51.36 kJ/mol; (21)Boiling Point: 295.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00271 mmHg at 25°C; (23)Exact Mass: 223.946556; (24)MonoIsotopic Mass: 223.946556; (25)Topological Polar Surface Area: 42.5; (26)Heavy Atom Count: 12; (27)Formal Charge: 0; (28)Complexity: 245.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=C(C=CC(=C1)Cl)S(=O)(=O)Cl
(2)InChI: InChI=1S/C7H6Cl2O2S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,1H3
(3)InChIKey: DTMRZJATPXTPSM-UHFFFAOYSA-N
