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CAS No.: | 22179-73-3 |
---|---|
Name: | 3,4-DICHLORO-THIOBENZAMIDE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H5Cl2NS |
Molecular Weight: | 206.095 |
Synonyms: | Benzamide,3,4-dichlorothio- (8CI);3,4-Dichlorothiobenzamide;3,4-Dichlorothiobenzamide 98%; |
Density: | 1.473 g/cm3 |
Melting Point: | 138-142℃ |
Boiling Point: | 318.4 °C at 760 mmHg |
Flash Point: | 146.4 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36 |
Safety: | 26 |
PSA: | 58.11000 |
LogP: | 3.32790 |
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The CAS register number of Benzenecarbothioamide,3,4-dichloro- is 22179-73-3. It also can be called as 3,4-Dichlorothiobenzamide and the IUPAC name about this chemical is 3,4-dichlorobenzenecarbothioamide. The molecular formula about this chemical is C7H5Cl2NS and the molecular weight is 206.09.
Physical properties about Benzenecarbothioamide,3,4-dichloro- are: (1)ACD/LogP: 3.07; (2)ACD/LogD (pH 5.5): 3.07; (3)ACD/LogD (pH 7.4): 3.07; (4)ACD/BCF (pH 5.5): 125.93; (5)ACD/BCF (pH 7.4): 125.93; (6)ACD/KOC (pH 5.5): 1108.86; (7)ACD/KOC (pH 7.4): 1108.86; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 35.33 Å2; (12)Index of Refraction: 1.669; (13)Molar Refractivity: 52.23 cm3; (14)Molar Volume: 139.9 cm3; (15)Polarizability: 20.7x10-24cm3; (16)Surface Tension: 63.4 dyne/cm; (17)Density: 1.473 g/cm3; (18)Flash Point: 146.4 °C; (19)Enthalpy of Vaporization: 55.99 kJ/mol; (20)Boiling Point: 318.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000361 mmHg at 25 °C.
Uses of Benzenecarbothioamide,3,4-dichloro-: it can be used to produce 2-[(3,4-dichlorophenyl)thiazol-4-yl]acetate with 4-chloro-3-oxo-butyric acid ethyl ester. This reaction will need solvent of ethanol. This reaction needs heating and the reaction time is 4 hours. The yield is about 72%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(C(=S)N)cc1Cl
(2)InChI: InChI=1/C7H5Cl2NS/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)
(3)InChIKey: FLRBZGVTWSWQNV-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H5Cl2NS/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)
(5)Std. InChIKey: FLRBZGVTWSWQNV-UHFFFAOYSA-N