Benzenesulfenylchloride, 2-nitro- (7669-54-7)

The 2-Nitrobenzenesulfenyl chloride, with CAS registry number 7669-54-7, belongs to the following product categories: (1)Biochemistry; (2)Peptide Synthesis; (3)Protection & Derivatization Reagents (for Synthesis); (4)Protective Reagents (Peptide Synthesis); (5)Synthetic Organic Chemistry. It has the systematic name of 1-(chlorosulfanyl)-2-nitrobenzene. This chemical should be stored at the temperature of 0-6°C. What's more, its EINECS is 231-644-2.

Physical properties of 2-Nitrobenzenesulfenyl chloride: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.56; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 296.68; (6)ACD/BCF (pH 7.4): 296.68; (7)ACD/KOC (pH 5.5): 2047.71; (8)ACD/KOC (pH 7.4): 2047.71; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 71.12 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 45.62 cm³; (15)Molar Volume: 127.6 cm³; (16)Polarizability: 18.08×10^-24cm³; (17)Surface Tension: 57.8 dyne/cm; (18)Enthalpy of Vaporization: 57.11 kJ/mol; (19)Vapour Pressure: 9.16E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-nitro-benzenesulfenyl chloride. This reaction will need reagents CCl₄, chlorine.

Uses of 2-Nitrobenzenesulfenyl chloride: it can be used to produce 2-nitro-benzenesulfenic acid amide. This reaction will need reagents diethyl ether, NH₃.

When you are using this chemical, please be cautious about it as the following:
The 2-Nitrobenzenesulfenyl chloride may causes burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: ClSc1ccccc1[N+]([O-])=O
(2)InChI: InChI=1/C6H4ClNO2S/c7-11-6-4-2-1-3-5(6)8(9)10/h1-4H
(3)InChIKey: NTNKNFHIAFDCSJ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C6H4ClNO2S/c7-11-6-4-2-1-3-5(6)8(9)10/h1-4H
(5)Std. InChIKey: NTNKNFHIAFDCSJ-UHFFFAOYSA-N