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Benzenesulfonylchloride, 3-chloro-2-methyl-

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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 Molecular Structure of 80563-86-6 (3-CHLORO-2-METHYLBENZENESULFONYL CHLORIDE) Hazard Symbols CorrosiveC,IrritantXi
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

Benzenesulfonylchloride, 3-chloro-2-methyl- Specification

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

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