Phenyl chlorothionocarbonate

The CAS register number of Carbonochloridothioicacid, O-phenyl ester is 1005-56-7. It also can be called as Phenyl thionochloroformate and the IUPAC name about this chemical is O-phenyl chloromethanethioate. The molecular formula about this chemical is C₇H₅ClOS and the molecular weight is 172.63. It belongs to the following product categories, such as Sulfur Compounds (for Synthesis); Synthetic Organic Chemistry and so on.

Physical properties about Carbonochloridothioicacid, O-phenyl ester are: (1)ACD/LogP: 3.26; (2)ACD/LogD (pH 5.5): 3.26; (3)ACD/LogD (pH 7.4): 3.26; (4)ACD/BCF (pH 5.5): 178.22; (5)ACD/BCF (pH 7.4): 178.22; (6)ACD/KOC (pH 5.5): 1421.8; (7)ACD/KOC (pH 7.4): 1421.8; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 41.32Ų; (11)Index of Refraction: 1.611; (12)Molar Refractivity: 45.06 cm³; (13)Molar Volume: 129.8 cm³; (14)Polarizability: 17.86x10^-24cm³; (15)Surface Tension: 52.2 dyne/cm; (16)Enthalpy of Vaporization: 43.84 kJ/mol; (17)Boiling Point: 220.6 °C at 760 mmHg; (18)Vapour Pressure: 0.166 mmHg at 25°C.

Uses of Carbonochloridothioicacid, O-phenyl ester: it can be used to produce phenyl-thiocarbamic acid O-phenyl ester with aniline. This reaction will need solvent ethanol.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(Cl)Oc1ccccc1
(2)InChI: InChI=1/C7H5ClOS/c8-7(10)9-6-4-2-1-3-5-6/h1-5H
(3)InChIKey: KOSYAAIZOGNATQ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H5ClOS/c8-7(10)9-6-4-2-1-3-5-6/h1-5H
(5)Std. InChIKey: KOSYAAIZOGNATQ-UHFFFAOYSA-N