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CAS No.: | 13207-55-1 |
---|---|
Name: | 4-(2,6-DICHLOROPHENYL)-3-THIOSEMICARBAZIDE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H7Cl2N3S |
Molecular Weight: | 236.125 |
Synonyms: | Semicarbazide,1-(2,6-dichlorophenyl)-3-thio- (7CI,8CI);N-(2,6-Dichlorophenyl)carbamohydrazonothioic acid; |
EINECS: | -0 |
Density: | 1.571 g/cm3 |
Melting Point: | 184-186 °C |
Boiling Point: | 335.4 °C at 760 mmHg |
Flash Point: | 156.6 °C |
Hazard Symbols: | R22:Harmful if swallowed.; |
Risk Codes: | 22 |
Safety: | 26-36/37/39 |
PSA: | 82.17000 |
LogP: | 3.31770 |
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The Hydrazinecarbothioamide,2-(2,6-dichlorophenyl)-, with the CAS registry number 13207-55-1, is also known as N-(2,6-Dichlorophenyl)carbamohydrazonothioic acid. This chemical's molecular formula is C7H7Cl2N3S and molecular weight is 236.12. What's more, its IUPAC name is 1-Amino-3-(2,6-dichlorophenyl)thiourea. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about Hydrazinecarbothioamide,2-(2,6-dichlorophenyl)- are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 18.21; (6)ACD/BCF (pH 7.4): 18.14; (7)ACD/KOC (pH 5.5): 277.84; (8)ACD/KOC (pH 7.4): 276.77; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.Molar Refractivity: 60.07 cm3; (13)Molar Volume: 150.2 cm3; (14)Polarizability: 23.81×10-24 cm3; (15)Surface Tension: 74.4 dyne/cm; (16)Density: 1.571 g/cm3; (17)Flash Point: 156.6 °C; (18)Enthalpy of Vaporization: 57.84 kJ/mol; (19)Boiling Point: 335.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00012 mmHg at 25 °C.
Preparation of Hydrazinecarbothioamide,2-(2,6-dichlorophenyl)-: this chemical can be prepared by 1,3-Dichloro-2-isothiocyanato-benzene. This reaction needs reagent NH2NH2. The yield is 95 %.
Use of Hydrazinecarbothioamide,2-(2,6-dichlorophenyl)-: it is used to produce other chemicals. For example, it is used to produce C13H10Cl2N4S. The reaction occurs with reagent Ethanol and reaction time is 2 hours. The yield is 92 %.
When you are dealing with this chemical, you should be very careful. This chemical is harmful if swallowed. 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: Clc1cccc(Cl)c1NC(=S)NN
(2)InChI: InChI=1/C7H7Cl2N3S/c8-4-2-1-3-5(9)6(4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
(3)InChIKey: MTLDTBBIPXCMJY-UHFFFAOYAY