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The Carbonochloridothioicacid, O-(4-methylphenyl) ester, with the CAS registry number 937-63-3, is also known as O-p-Tolyl chlorothioformate. It belongs to the product categories of Organic Building Blocks; Sulfur Compounds; Thiocarbonyl Compounds. Its EINECS registry number is 213-333-3. This chemical's molecular formula is C8H7ClOS and molecular weight is 186.66. Its IUPAC name is called O-(4-methylphenyl) chloromethanethioate.
Physical properties of Carbonochloridothioicacid, O-(4-methylphenyl) ester: (1)ACD/LogP: 3.72; (2)ACD/LogD (pH 5.5): 3.72; (3)ACD/LogD (pH 7.4): 3.72; (4)ACD/BCF (pH 5.5): 398.66; (5)ACD/BCF (pH 7.4): 398.66; (6)ACD/KOC (pH 5.5): 2529.99; (7)ACD/KOC (pH 7.4): 2529.99; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.598; (11)Molar Refractivity: 49.89 cm3; (12)Molar Volume: 146 cm3; (13)Surface Tension: 49 dyne/cm; (14)Density: 1.277 g/cm3; (15)Flash Point: 101.8 °C; (16)Enthalpy of Vaporization: 46.23 kJ/mol; (17)Boiling Point: 244.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0466 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)OC(=S)Cl
(2)InChI: InChI=1S/C8H7ClOS/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3
(3)InChIKey: UNCAXIZUVRKBMN-UHFFFAOYSA-N