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54090-41-4

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Basic Information
CAS No.: 54090-41-4
Name: 2-nitro-p-toluenesulphonyl chloride
Article Data: 15
Molecular Structure:
Molecular Structure of 54090-41-4 (2-nitro-p-toluenesulphonyl chloride)
Formula: C7H6ClNO4S
Molecular Weight: 235.648
Synonyms: p-Toluenesulfonylchloride, 2-nitro- (7CI);2-Nitro-p-toluenesulfonyl chloride;4-Methyl-2-nitrobenzenesulfonyl chloride;
EINECS: 258-970-8
Density: 1.528 g/cm3
Boiling Point: 363.7 °C at 760 mmHg
Flash Point: 173.8 °C
PSA: 88.34000
LogP: 3.43470
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    54090-41-4

    Benzenesulfonylchloride, 4-methyl-2-nitro-

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  • Benzenesulfonylchloride, 4-methyl-2-nitro-

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    Benzenesulfonylchloride, 4-methyl-2-nitro-

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

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  • 2-NITRO-P-TOLUENESULFONYL CHLORIDE

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    2-NITRO-P-TOLUENESULFONYL CHLORIDE

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    2-NITRO-P-TOLUENESULFONYL CHLORIDEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The CAS registry number of Benzenesulfonylchloride, 4-methyl-2-nitro- is 54090-41-4. This chemical is also named as 2-Nitro-p-toluenesulphonyl chloride. The EINECS registry number of it is 258-970-8. In addition, its molecular formula is C7H6ClNO4S and molecular weight is 235.64484. Its systematic name and IUPAC name are the same which is called 4-methyl-2-nitrobenzenesulfonyl chloride.

Physical properties about Benzenesulfonylchloride, 4-methyl-2-nitro- are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 43.71; (6)ACD/BCF (pH 7.4): 43.71; (7)ACD/KOC (pH 5.5): 519.96; (8)ACD/KOC (pH 7.4): 519.96; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 51.05 cm3; (14)Molar Volume: 154.2 cm3; (15)Surface Tension: 53.7 dyne/cm; (16)Density: 1.528 g/cm3; (17)Flash Point: 173.8 °C; (18)Enthalpy of Vaporization: 58.58 kJ/mol; (19)Boiling Point: 363.7 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(ccc(c1)C)S(Cl)(=O)=O
(2)InChI: InChI=1/C7H6ClNO4S/c1-5-2-3-7(14(8,12)13)6(4-5)9(10)11/h2-4H,1H3
(3)InChIKey: HEVNLMSJUFKWBS-UHFFFAOYAU