Hydrazinecarbothioamide, N-(4-chlorophenyl)- supplier

Name
4-(4-CHLOROPHENYL)-3-THIOSEMICARBAZIDE
EINECS
CAS No. 22814-92-2
Article Data45
CAS DataBase
Density 1.458g/cm³
Solubility Insoluble in water.
Melting Point 179-182°C
Formula C₇H₈ClN₃S
Boiling Point 318.3 °C at 760 mmHg
Molecular Weight 201.68
Flash Point 146.3 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Semicarbazide, 4-(p-chlorophenyl)-3-thio-(6CI,7CI,8CI);4-(4-Chlorophenyl)-3-thiosemicarbazide;4-(4-Chlorophenyl)thiosemicarbazide;4-(p-Chlorophenyl)-3-thiosemicarbazide;4-(p-Chlorophenyl)thiosemicarbazide;N-(4-Chlorophenyl)hydrazinecarbothioamide;
PSA 82.17000
LogP 2.66430

Hydrazinecarbothioamide, N-(4-chlorophenyl)- Specification

The Hydrazinecarbothioamide, N-(4-chlorophenyl)-, with CAS registry number 22814-92-2, has the systematic name of N-(4-chlorophenyl)hydrazinecarbothioamide. Besides this, it is also called 4-(4-Chlorophenyl)-3-thiosemicarbazide. And the chemical formula of this chemical is C₇H₈ClN₃S.

Physical properties of Hydrazinecarbothioamide, N-(4-chlorophenyl)-: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 17.03; (6)ACD/BCF (pH 7.4): 16.94; (7)ACD/KOC (pH 5.5): 264.72; (8)ACD/KOC (pH 7.4): 263.42; (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^-24cm³; (17)Surface Tension: 73.9 dyne/cm; (18)Density: 1.458 g/cm³; (19)Flash Point: 146.3 °C; (20)Enthalpy of Vaporization: 55.97 kJ/mol; (21)Boiling Point: 318.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000365 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Hydrazinecarbothioamide, N-(4-chlorophenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Clc1ccc(NC(=S)NN)cc1
(2)InChI: InChI=1/C7H8ClN3S/c8-5-1-3-6(4-2-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
(3)InChIKey: GFTWJLUVFRTLIL-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H8ClN3S/c8-5-1-3-6(4-2-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
(5)Std. InChIKey: GFTWJLUVFRTLIL-UHFFFAOYSA-N

Product Name

4-(4-CHLOROPHENYL)-3-THIOSEMICARBAZIDE

Hydrazinecarbothioamide, N-(4-chlorophenyl)- Specification

Related Products

Hot Products