1-(2-NITROPHENYL)-2-THIOUREA

The CAS register number of Thiourea,N-(2-nitrophenyl)- is 51039-84-0. It also can be called as 1-(2-Nitrophenyl)thiourea and the IUPAC name about this chemical is (2-nitrophenyl)thiourea. The molecular formula about this chemical is C₇H₇N₃O₂S and the molecular weight is 197.21.

Physical properties about Thiourea,N-(2-nitrophenyl)- are: (1)ACD/LogP: 0.98; (2)ACD/LogD (pH 5.5): 0.98; (3)ACD/LogD (pH 7.4): 0.98; (4)ACD/BCF (pH 5.5): 3.28; (5)ACD/BCF (pH 7.4): 3.28; (6)ACD/KOC (pH 5.5): 81.41; (7)ACD/KOC (pH 7.4): 81.4; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 84.39 Å²; (12)Index of Refraction: 1.759; (13)Molar Refractivity: 53.23 cm³; (14)Molar Volume: 129.3 cm³; (15)Polarizability: 21.1x10^-24cm³; (16)Surface Tension: 88.8 dyne/cm; (17)Density: 1.524 g/cm³; (18)Flash Point: 165.8 °C; (19)Enthalpy of Vaporization: 59.52 kJ/mol; (20)Boiling Point: 350.6 °C at 760 mmHg; (21)Vapour Pressure: 4.34E-05 mmHg at 25 °C.

Uses of Thiourea,N-(2-nitrophenyl)-: it can be used to produce 2-{4-(4-nitro-phenylamino)-6-[3-(2-nitro-phenyl)-thioureido]-[1,3,5]triazin-2-yloxy}-benzamide with 2-[4-chloro-6-(4-nitro-phenylamino)-[1,3,5]triazin-2-yloxy]-benzamide. This reaction will need solvent of acetone. This reaction needs heating. The reaction time is 3 hours. The yield is about 61%.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. If you want to use this chemical, wear suitable protective clothing and gloves. When you are using it, do not breathe dust. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) You should keep the container tightly closed and sealed in dry, cool places. If you store and use this chemical according the rule, it will not be decomposed. Please ensure that the workshop is well ventilated or equipped with exhaust device.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(Nc1ccccc1[N+]([O-])=O)N
(2)InChI: InChI=1/C7H7N3O2S/c8-7(13)9-5-3-1-2-4-6(5)10(11)12/h1-4H,(H3,8,9,13)
(3)InChIKey: FLGZBEKWHFRZNP-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H7N3O2S/c8-7(13)9-5-3-1-2-4-6(5)10(11)12/h1-4H,(H3,8,9,13)
(5)Std. InChIKey: FLGZBEKWHFRZNP-UHFFFAOYSA-N