2-NITRO-5-(PROPYLTHIO)ANILINE

The Benzenamine, 2-nitro-5-(propylthio)-, with the CAS registry number of 57780-75-3, is also known as 2-nitro-5-(Propylthio)-benzenamin. This chemical's molecular formula is C₉H₁₂N₂O₂S and molecular weight is 212.27. What's more, its IUPAC name is 2-Nitro-5-propylsulfanylaniline. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Benzenamine, 2-nitro-5-(propylthio)- are: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.66; (4)ACD/LogD (pH 7.4): 3.66; (5)ACD/BCF (pH 5.5): 355.64; (6)ACD/BCF (pH 7.4): 355.64; (7)ACD/KOC (pH 5.5): 2331.39; (8)ACD/KOC (pH 7.4): 2331.39; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 74.36 Å²; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 58.3 cm³; (15)Molar Volume: 168.7 cm³; (16)Surface Tension: 55.8 dyne/cm; (17)Density: 1.25 g/cm³; (18)Flash Point: 183.8 °C; (19)Enthalpy of Vaporization: 62.84 kJ/mol; (20)Boiling Point: 380.3 °C at 760 mmHg; (21)Vapour Pressure: 5.52E-06 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-Nitro-5-propylthio-propionanilid by heating. The reaction needs solvent Toluene. The reaction time is 8 hours. The yield is about 75.2 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1c(cc(SCCC)cc1)N
(2) InChI: InChI=1/C9H12N2O2S/c1-2-5-14-7-3-4-9(11(12)13)8(10)6-7/h3-4,6H,2,5,10H2,1H3
(3) InChIKey: NLCPQMUVBQILMA-UHFFFAOYAL