CAS No.74159-80-1,1-Chloro-4-(ethylsulfonyl)-2-nitrobenzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	74159-80-1
Name:	1-Chloro-4-(ethylsulfonyl)-2-nitrobenzene
Article Data:	6

Formula:	C₈H₈ClNO₄S
Molecular Weight:	249.675
Synonyms:	Sulfone,4-chloro-3-nitrophenyl ethyl (6CI,7CI);1-Chloro-4-ethylsulfonyl-2-nitrobenzene;2-Chloro-5-ethylsulfonylnitrobenzene;4-Chloro-3-nitrophenyl ethyl sulfone;
EINECS:	277-737-1
Density:	1.455 g/cm³
Boiling Point:	419.6 °C at 760 mmHg
Flash Point:	207.6 °C
PSA:	88.34000
LogP:	3.64580

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Specification

The Benzene,1-chloro-4-(ethylsulfonyl)-2-nitro-, with the CAS registry number 74159-80-1, is also known as 2-Chloro-5-ethylsulfonylnitrobenzene. It belongs to the product category of Benzene derivates. Its EINECS number is 277-737-1. This chemical's molecular formula is C₈H₈ClNO₄S and formula weight is 249.67. What's more, its IUPAC name is 1-chloro-4-ethylsulfonyl-2-nitrobenzene.

Physical properties of Benzene,1-chloro-4-(ethylsulfonyl)-2-nitro- are: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/BCF (pH 5.5): 6.57; (5)ACD/KOC (pH 5.5): 133.93; (6)ACD/KOC (pH 7.4): 133.93; (7)#H bond acceptors: 5; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 88.34 Å²; (11)Index of Refraction: 1.562; (12)Molar Refractivity: 55.68 cm³; (13)Molar Volume: 171.5 cm³; (14)Surface Tension: 50.6 dyne/cm; (15)Density: 1.455 g/cm³; (16)Flash Point: 207.6 °C; (17)Enthalpy of Vaporization: 64.72 kJ/mol; (18)Boiling Point: 419.6 °C at 760 mmHg; (19)Vapour Pressure: 7.32E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
(2)InChI: InChI=1S/C8H8ClNO4S/c1-2-15(13,14)6-3-4-7(9)8(5-6)10(11)12/h3-5H,2H2,1H3
(3)InChIKey: VETAODCIKKRRTR-UHFFFAOYSA-N