CAS No.79925-03-4,4-(3-NITROPHENYL)-3-THIOSEMICARBAZIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	79925-03-4
Name:	4-(3-NITROPHENYL)-3-THIOSEMICARBAZIDE
Article Data:	6

Formula:	C₇H₈N₄O₂S
Molecular Weight:	212.232
Synonyms:	Semicarbazide,4-(m-nitrophenyl)-3-thio- (6CI);4-(3-Nitrophenyl)thiosemicarbazide;4-(m-Nitrophenyl)thiosemicarbazide;4-(3-Nitrophenyl)-3-thiosemicarbazide;
Density:	1.535 g/cm³
Melting Point:	161-163 °C
Boiling Point:	358.8 °C at 760 mmHg
Flash Point:	170.8 °C
PSA:	127.99000
LogP:	2.44230

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Specification

The Hydrazinecarbothioamide,N-(3-nitrophenyl)- , with the CAS registry number 79925-03-4, is also known as 4-(3-Nitrophenyl)-3-thiosemicarbazide. This chemical's molecular formula is C₇H₈N₄O₂S and molecular weight is 212.23. What's more, its IUPAC name is 1-Amino-3-(3-nitrophenyl)thiourea.

Physical properties about Hydrazinecarbothioamide,N-(3-nitrophenyl)- are: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.93; (6)ACD/BCF (pH 7.4): 5.88; (7)ACD/KOC (pH 5.5): 124.38; (8)ACD/KOC (pH 7.4): 123.35; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 87.63 Å²; (13)Index of Refraction: 1.759; (14)Molar Refractivity: 56.82 cm³; (15)Molar Volume: 138.2 cm³; (16)Polarizability: 22.52×10^-24cm³; (17)Surface Tension: 89.5 dyne/cm; (18)Density: 1.535 g/cm³; (19)Flash Point: 170.8 °C; (20)Enthalpy of Vaporization: 60.43 kJ/mol; (21)Boiling Point: 358.8 °C at 760 mmHg; (22)Vapour Pressure: 2.49E-05 mmHg at 25 °C.

Uses of Hydrazinecarbothioamide,N-(3-nitrophenyl)-: it is used to produce other chemicals. For example, it is used to produce (Z)-Camphorquinone 4-m-nitrothiosemicarbazone and (E)-Camphorquinone 4-m-nitrothiosemicarbazone. The reaction occurs with reagent aq. Acetic acid and other condition of heating for 2 hours. The yield is 76 %.

Hydrazinecarbothioamide,N-(3-nitrophenyl)- is used to produce (Z)-Camphorquinone 4-m-nitrothiosemicarbazone and (E)-Camphorquinone 4-m-nitrothiosemicarbazone

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(Nc1cccc(c1)[N+]([O-])=O)NN
(2)InChI: InChI=1/C7H8N4O2S/c8-10-7(14)9-5-2-1-3-6(4-5)11(12)13/h1-4H,8H2,(H2,9,10,14)
(3)InChIKey: XGLWDVPGYUSGCU-UHFFFAOYAM