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77421-13-7

Basic Information
CAS No.: 77421-13-7
Name: (2-CHLORO-PHENYL)-METHANESULFONYL CHLORIDE
Article Data: 13
Molecular Structure:
Molecular Structure of 77421-13-7 ((2-CHLORO-PHENYL)-METHANESULFONYL CHLORIDE)
Formula: C7H6Cl2O2S
Molecular Weight: 225.095
Synonyms: a-Toluenesulfonyl chloride,o-chloro- (6CI);(2-Chlorophenyl)methanesulfonyl chloride;2-Chlorobenzylsulfonyl chloride;2-Chloro-α-toluenesulfonyl chloride;
Density: 1.499 g/cm3
Melting Point: 60 °C
Boiling Point: 321.2 °C at 760 mmHg
Flash Point: 148 °C
Hazard Symbols: IrritantXi,CorrosiveC,HarmfulXn
Risk Codes: 34-29-14-41-37/38-22
Safety: 26-36/37/39-39
Transport Information: 3261
PSA: 42.52000
LogP: 3.48940
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  • (2-Chlorophenyl)-methanesulfonyl chloride  CAS NO.77421-13-7

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Specification

The CAS register number of Benzenemethanesulfonylchloride, 2-chloro- is 77421-13-7. It also can be called as 2-Chlorobenzylsulfonyl chloride and the IUPAC name about this chemical is (2-chlorophenyl)methanesulfonyl chloride. The molecular formula about this chemical is C7H6Cl2O2S and the molecular weight is 225.09.

Physical properties about Benzenemethanesulfonylchloride, 2-chloro- are: (1)ACD/LogP: 2.61; (2)ACD/LogD (pH 5.5): 2.61; (3)ACD/LogD (pH 7.4): 2.61; (4)ACD/BCF (pH 5.5): 56.37; (5)ACD/BCF (pH 7.4): 56.37; (6)ACD/KOC (pH 5.5): 623.72; (7)ACD/KOC (pH 7.4): 623.72; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 42.52 Å2; (11)Index of Refraction: 1.578; (12)Molar Refractivity: 49.85 cm3; (13)Molar Volume: 150.1 cm3; (14)Polarizability: 19.76x10-24cm3; (15)Surface Tension: 51.2 dyne/cm; (16)Density: 1.499 g/cm3; (17)Flash Point: 148 °C; (18)Enthalpy of Vaporization: 54.05 kJ/mol; (19)Boiling Point: 321.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000569 mmHg at 25 °C.

Uses of Benzenemethanesulfonylchloride, 2-chloro-: it can be used to produce C7H7ClNO2S(1-)*Na(1+). This reaction will need reagent of 12 M NaOH. The reaction time is 1 hour with reaction temperature of -78 °C. The yield is about 83%.

Benzenemethanesulfonylchloride, 2-chloro- can be used to produce C7H7ClNO2S(1-)*Na(1+).

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and irritating to respiratory system and skin. It can cause burns and may destroy living tissue on contact. It may cause inflammation to the skin or other mucous membranes and damage to health. It can react violently with water. There is risk of serious damage to the eyes and danger of very serious irreversible effects. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1CS(Cl)(=O)=O
(2)InChI: InChI=1/C7H6Cl2O2S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4H,5H2
(3)InChIKey: CHPZYFXSICSCNY-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H6Cl2O2S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4H,5H2
(5)Std. InChIKey: CHPZYFXSICSCNY-UHFFFAOYSA-N