METHYL (3,5-DICHLOROPHENYL)CARBAMATE

The Carbamic acid,(3,5-dichlorophenyl)-, methyl ester (9CI) is an organic compound with the formula C₈H₇Cl₂NO₂. The IUPAC name of this chemical is methyl N-(3,5-dichlorophenyl)carbamate. With the CAS registry number 25217-43-0, it is also named as 3,5-Dichlorocarbanilic acid methyl ester. Besides, it should be stored in a closed cool and dry place.

Physical properties about Carbamic acid,(3,5-dichlorophenyl)-, methyl ester (9CI) are: (1)ACD/LogP: 3.46; (2)ACD/LogD (pH 5.5): 3.46; (3)ACD/LogD (pH 7.4): 3.46; (4)ACD/BCF (pH 5.5): 251.48; (5)ACD/BCF (pH 7.4): 251.48; (6)ACD/KOC (pH 5.5): 1819.22; (7)ACD/KOC (pH 7.4): 1819.21; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 29.54 Å²; (12)Index of Refraction: 1.597; (13)Molar Refractivity: 52.06 cm³; (14)Molar Volume: 152.7 cm³; (15)Polarizability: 20.63×10^-24cm³; (16)Surface Tension: 48.1 dyne/cm; (17)Density: 1.44 g/cm³; (18)Flash Point: 104.1 °C; (19)Enthalpy of Vaporization: 48.57 kJ/mol; (20)Boiling Point: 248.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0241 mmHg at 25°C.

Preparation of Carbamic acid,(3,5-dichlorophenyl)-, methyl ester (9CI): this chemical can be prepared by carbonochloridic acid methyl ester and 3,5-dichloro-aniline. This reaction is a kind of Acylation. This reaction will need catalyst toluene. The reaction time is 2 hours by heating. The yield is about 83%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(NC(=O)OC)cc(Cl)c1
(2)InChI: InChI=1/C8H7Cl2NO2/c1-13-8(12)11-7-3-5(9)2-6(10)4-7/h2-4H,1H3,(H,11,12)
(3)InChIKey: FRSRGACXHCLBTC-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-7-3-5(9)2-6(10)4-7/h2-4H,1H3,(H,11,12)
(5)Std. InChIKey: FRSRGACXHCLBTC-UHFFFAOYSA-N