Benzenesulfonylchloride, 4-methyl-2-nitro- supplier

Name
2-nitro-p-toluenesulphonyl chloride
EINECS 258-970-8
CAS No. 54090-41-4
Article Data15
CAS DataBase
Density 1.528 g/cm³
Solubility
Melting Point
Formula C₇H₆ClNO₄S
Boiling Point 363.7 °C at 760 mmHg
Molecular Weight 235.648
Flash Point 173.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms p-Toluenesulfonylchloride, 2-nitro- (7CI);2-Nitro-p-toluenesulfonyl chloride;4-Methyl-2-nitrobenzenesulfonyl chloride;
PSA 88.34000
LogP 3.43470

Benzenesulfonylchloride, 4-methyl-2-nitro- 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

Product Name

2-nitro-p-toluenesulphonyl chloride

Benzenesulfonylchloride, 4-methyl-2-nitro- Specification

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