CAS No.55854-45-0,5-METHYL-2-THIOPHENESULFONYL CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	55854-45-0
Name:	5-METHYL-2-THIOPHENESULFONYL CHLORIDE
Article Data:	10

Formula:	C₅H₅ClO₂S₂
Molecular Weight:	196.678
Synonyms:	5-Methyl-2-thienylsulfonylchloride;5-Methyl-2-thiophenesulfonyl chloride;
Density:	1.492 g/cm³
Boiling Point:	285.367 °C at 760 mmHg
Flash Point:	126.386 °C
Hazard Symbols:	C,Xi,Xn
Risk Codes:	34-22
Safety:	26-36/37/39-45
PSA:	70.76000
LogP:	3.06480

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Specification

The Benzonitrile,5-chloro-2-methoxy-, with the CAS registry number 55877-79-7, has the systematic name of 5-chloro-2-methoxybenzonitrile. It is a kind of corrosive chemical, and belongs to the product category of Thiophens. And the molecular formula of the chemical is C₅H₅ClO₂S₂.

The characteristics of Benzonitrile,5-chloro-2-methoxy- are as followings: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 61.31; (6)ACD/BCF (pH 7.4): 61.31; (7)ACD/KOC (pH 5.5): 662.44; (8)ACD/KOC (pH 7.4): 662.44; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 42.51 cm³; (15)Molar Volume: 133.7 cm³; (16)Polarizability: 16.85×10^-24cm³; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.25 g/cm³; (19)Flash Point: 115.2 °C; (20)Enthalpy of Vaporization: 50.48 kJ/mol; (21)Boiling Point: 266.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00845 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(C#N)c(OC)cc1
(2)InChI: InChI=1/C8H6ClNO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,1H3
(3)InChIKey: LREABOKKLIVXNA-UHFFFAOYAA