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| CAS No.: | 42135-75-1 |
|---|---|
| Name: | 4-(2-CHLOROPHENYL)-3-THIOSEMICARBAZIDE |
| Molecular Structure: | |
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| Formula: | C7H8ClN3S |
| Molecular Weight: | 201.68 |
| Synonyms: | Semicarbazide,4-(o-chlorophenyl)-3-thio- (6CI);4-(2-Chlorophenyl)thiosemicarbazide;4-(o-Chlorophenyl)-3-thiosemicarbazide;4-(o-Chlorophenyl)thiosemicarbazide;N-(2-Chlorophenyl)hydrazinecarbothioamide;4-(2-Chlorophenyl)-3-thiosemicarbazide; |
| Density: | 1.458 g/cm3 |
| Melting Point: | 136-138 °C |
| Boiling Point: | 312.9 °C at 760 mmHg |
| Flash Point: | 143 °C |
| Hazard Symbols: | R25:Toxic if swallowed.; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 82.17000 |
| LogP: | 2.66430 |
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Specification
The Hydrazinecarbothioamide,N-(2-chlorophenyl)-, with the CAS registry number 42135-75-1, is also known as 4-(2-Chlorophenyl)-3-thiosemicarbazide. This chemical's molecular formula is C7H8ClN3S and molecular weight is 201.68. What's more, its systematic name is N-(2-Chlorophenyl)hydrazinecarbothioamide. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about Hydrazinecarbothioamide,N-(2-chlorophenyl)- are: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 7.32; (6)ACD/BCF (pH 7.4): 7.28; (7)ACD/KOC (pH 5.5): 144.74; (8)ACD/KOC (pH 7.4): 143.8; (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: 1.729; (14)Molar Refractivity: 55.17 cm3; (15)Molar Volume: 138.3 cm3; (16)Polarizability: 21.87×10-24 cm3; (17)Surface Tension: 73.9 dyne/cm; (18)Density: 1.458 g/cm3; (19)Flash Point: 143 °C; (20)Enthalpy of Vaporization: 55.39 kJ/mol; (21)Boiling Point: 312.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000515 mmHg at 25 °C.
Use of Hydrazinecarbothioamide,N-(2-chlorophenyl)-: it is used to produce other chemicals. For example, it is used to produce 1-(2-Chloro-phenyl)-3-(2-methyl-4-oxo-4H-quinazolin-3-yl)-thiourea. The reaction occurs with reagent Methanol and other condition of heating. The yield is 77 %.
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When you are dealing with this chemical, you should be very careful. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. 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: Clc1ccccc1NC(=S)NN
(2)InChI: InChI=1/C7H8ClN3S/c8-5-3-1-2-4-6(5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
(3)InChIKey: OLLXBDOYXPALCA-UHFFFAOYAR