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Name |
Benzenecarbothioamide,2,4-dichloro- |
EINECS | N/A |
CAS No. | 2775-38-4 | Density | 1.473 g/cm3 |
PSA | 58.11000 | LogP | 3.32790 |
Solubility | N/A | Melting Point |
135 °C |
Formula | C7H5Cl2NS | Boiling Point | 311.5 °C at 760 mmHg |
Molecular Weight | 206.095 | Flash Point | 142.2 °C |
Transport Information | UN 2811 | Appearance | Yellow powder |
Safety | 37/39-26 | Risk Codes | 36/37/38-22 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Benzamide,2,4-dichlorothio- (7CI,8CI);2,4-Dichlorobenzenecarbothioamide;2,4-Dichlorothiobenzamide; |
Article Data | 11 |
The Benzenecarbothioamide,2,4-dichloro-, with the CAS registry number 2775-38-4, is also known as 2,4-Dichlorothiobenzamide. It belongs to the product categories of Acids and Derivatives; Halides. This chemical's molecular formula is C7H5Cl2NS and formula weight is 206.09. What's more, its IUPAC name is 2,4-dichlorobenzenecarbothioamide. It should be sealed and stored in a cool and dry place.
Physical properties of Benzenecarbothioamide,2,4-dichloro- are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/BCF (pH 5.5): 53.85; (5)ACD/KOC (pH 5.5): 603.67; (6)ACD/KOC (pH 7.4): 603.66; (7)#H bond acceptors: 1; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 35.33 Å2; (11)Index of Refraction: 1.669; (12)Molar Refractivity: 52.23 cm3; (13)Molar Volume: 139.9 cm3; (14)Surface Tension: 63.4 dyne/cm; (15)Density: 1.473 g/cm3; (16)Flash Point: 142.2 °C; (17)Enthalpy of Vaporization: 55.25 kJ/mol; (18)Boiling Point: 311.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00056 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C(=S)N
(2)InChI: InChI=1S/C7H5Cl2NS/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)
(3)InChIKey: WDNBLWURITYPQL-UHFFFAOYSA-N