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CAS No.: | 14580-30-4 |
---|---|
Name: | 4-(2,5-DICHLOROPHENYL)-3-THIOSEMICARBAZIDE |
Molecular Structure: | |
Formula: | C7H7Cl2N3S |
Molecular Weight: | 236.125 |
Synonyms: | Semicarbazide,1-(2,5-dichlorophenyl)-3-thio- (6CI,8CI);4-(2,5-Dichlorophenyl)-3-thiosemicarbazide; |
Density: | 1.571 g/cm3 |
Melting Point: | 167-169 °C |
Boiling Point: | 336.3 °C at 760 mmHg |
Flash Point: | 157.2 °C |
Hazard Symbols: | T |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 82.17000 |
LogP: | 3.31770 |
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The Hydrazinecarbothioamide,2-(2,5-dichlorophenyl)-, with the CAS registry number 14580-30-4, is also known as 4-(2,5-Dichlorophenyl)-3-thiosemicarbazide. This chemical's molecular formula is C7H7Cl2N3S and molecular weight is 236.12. What's more, its IUPAC name is 1-Amino-3-(2,5-dichlorophenyl)thiourea.
Physical properties about Hydrazinecarbothioamide,2-(2,5-dichlorophenyl)- are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 39.14; (6)ACD/BCF (pH 7.4): 39.03; (7)ACD/KOC (pH 5.5): 480.36; (8)ACD/KOC (pH 7.4): 478.97; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.81 Å2; (13)Index of Refraction: 1.731; (14)Molar Refractivity: 60.07 cm3; (15)Molar Volume: 150.2 cm3; (16)Polarizability: 23.81×10-24 cm3; (17)Surface Tension: 74.4 dyne/cm; (18)Density: 1.571 g/cm3; (19)Flash Point: 157.2 °C; (20)Enthalpy of Vaporization: 57.95 kJ/mol; (21)Boiling Point: 336.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000113 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. As a chemical, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. During using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(Cl)cc1NC(=S)NN
(2)InChI: InChI=1/C7H7Cl2N3S/c8-4-1-2-5(9)6(3-4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
(3)InChIKey: XBDSQQOEXKOZJQ-UHFFFAOYAN