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Benzenecarbothioamide,2,4-dichloro-

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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 Molecular Structure of 2775-38-4 (2,4-DICHLORO-THIOBENZAMIDE) Hazard Symbols HarmfulXn
Synonyms

Benzamide,2,4-dichlorothio- (7CI,8CI);2,4-Dichlorobenzenecarbothioamide;2,4-Dichlorothiobenzamide;

Article Data 11

Benzenecarbothioamide,2,4-dichloro- Specification

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

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