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Name
2-(2,4,6-TRICHLOROPHENYL)-1-HYDRAZINECARBOTHIOAMIDE
- EINECS
- CAS No. 14576-98-8
- Density 1.667 g/cm3
- Solubility
- Melting Point 243-244 °C
- Formula C7H6Cl3N3S
- Boiling Point 360.8 °C at 760 mmHg
- Molecular Weight 270.57
- Flash Point 172 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Semicarbazide,3-thio-1-(2,4,6-trichlorophenyl)- (8CI);2-(2,4,6-Trichlorophenyl)hydrazinecarbothioamide;(2,4,6-Trichloroanilino)thiourea;
- PSA 82.17000
- LogP 3.97110
Hydrazinecarbothioamide,2-(2,4,6-trichlorophenyl)- Specification
The Hydrazinecarbothioamide,2-(2,4,6-trichlorophenyl)-, with the CAS registry number 14576-98-8, is also known as 2-(2,4,6-Trichlorophenyl)hydrazinecarbothioamide. This chemical's molecular formula is C7H6Cl3N3S and molecular weight is 270.57. What's more, its systematic name is (2,4,6-trichloroanilino)thiourea.
Physical properties of Hydrazinecarbothioamide,2-(2,4,6-trichlorophenyl)- are: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.75; (4)ACD/LogD (pH 7.4): 2.75; (5)ACD/BCF (pH 5.5): 72.87; (6)ACD/BCF (pH 7.4): 72.74; (7)ACD/KOC (pH 5.5): 749.55; (8)ACD/KOC (pH 7.4): 748.25; (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: 1.733; (14)Molar Refractivity: 64.96 cm3; (15)Molar Volume: 162.2 cm3; (16)Polarizability: 25.75×10-24cm3; (17)Surface Tension: 74.9 dyne/cm; (18)Density: 1.667 g/cm3; (19)Flash Point: 172 °C; (20)Enthalpy of Vaporization: 60.66 kJ/mol; (21)Boiling Point: 360.8 °C at 760 mmHg; (22)Vapour Pressure: 2.16E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1Cl)NNC(=S)N)Cl)Cl
(2)InChI: InChI=1S/C7H6Cl3N3S/c8-3-1-4(9)6(5(10)2-3)12-13-7(11)14/h1-2,12H,(H3,11,13,14)
(3)InChIKey: HLWGCUILUNSFII-UHFFFAOYSA-N
Related Products
- Hydrazinecarbothioamide, 2-((1-methyl-1H-pyrrol-2-yl)methylene)-N-phenyl- (9CI)
- Hydrazinecarbothioamide, N-(2-methoxy-5-methylphenyl)-
- Hydrazinecarbothioamide, N-(3-chloro-4-methylphenyl)-
- Hydrazinecarbothioamide, N-(4-bromophenyl)-
- Hydrazinecarbothioamide, N-(4-chlorophenyl)-
- Hydrazinecarbothioamide, N,2-diphenyl-
- Hydrazinecarbothioamide, N,N-dimethyl-
- Hydrazinecarbothioamide, N-methyl-N-phenyl-
- Hydrazinecarbothioamide, N-pentyl-
- Hydrazinecarbothioamide,2-(2,4,6-trichlorophenyl)-
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