1-Chloro-2-(methylsulphonyl)-4-nitrobenzene supplier

Name
1-chloro-2-(methylsulphonyl)-4-nitrobenzene
EINECS 244-200-8
CAS No. 21081-74-3
Density 1.52 g/cm³
Solubility
Melting Point 171-173 °C
Formula C₇H₆ClNO₄S
Boiling Point 421.064 °C at 760 mmHg
Molecular Weight 235.648
Flash Point 208.452 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-5-nitrophenyl methyl sulfone;
PSA 88.34000
LogP 3.25570

1-Chloro-2-(methylsulphonyl)-4-nitrobenzene Specification

The 1-Chloro-2-(methylsulphonyl)-4-nitrobenzene, with the CAS registry number 21081-74-3, is also known as Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro-. Its EINECS number is 244-200-8. This chemical's molecular formula is C₇H₆ClNO₄S and molecular weight is 235.64. What's more, its systematic name is 1-Chloro-2-(methylsulfonyl)-4-nitrobenzene.

Physical properties of 1-Chloro-2-(methylsulphonyl)-4-nitrobenzene are: (1)ACD/LogP: 1.705; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 11.64; (6)ACD/BCF (pH 7.4): 11.64; (7)ACD/KOC (pH 5.5): 201.64; (8)ACD/KOC (pH 7.4): 201.64; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 88.34 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 51.057 cm³; (15)Molar Volume: 155.003 cm³; (16)Polarizability: 20.241×10^-24cm³; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.52 g/cm³; (19)Flash Point: 208.452 °C; (20)Enthalpy of Vaporization: 64.886 kJ/mol; (21)Boiling Point: 421.064 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(ccc1Cl)[N+]([O-])=O)C
(2)Std. InChI: InChI=1S/C7H6ClNO4S/c1-14(12,13)7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3
(3)Std. InChIKey: XYJJSLMPHYYITA-UHFFFAOYSA-N

Product Name

1-chloro-2-(methylsulphonyl)-4-nitrobenzene

1-Chloro-2-(methylsulphonyl)-4-nitrobenzene Specification

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