Diphenylcarbamyl chloride (83-01-2)

The Diphenylcarbamyl chloride with the cas number 83-01-2 is also called Carbamic chloride,N,N-diphenyl-. The IUPAC name is N,N-diphenylcarbamoyl chloride. Its EINECS registry number is 201-450-2. The molecular formula is C₁₃H₁₀ClNO. This chemical is beige to grey-green crystalline powder.

The properties of the chemical are: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.75; (4)ACD/LogD (pH 7.4): 3.75; (5)ACD/BCF (pH 5.5): 413.81; (6)ACD/BCF (pH 7.4): 413.81; (7)ACD/KOC (pH 5.5): 2598.42; (8)ACD/KOC (pH 7.4): 2598.42; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 65.21 cm³; (15)Molar Volume: 182.5 cm³; (16)Polarizability: 25.85×10^-24cm³; (17)Surface Tension: 50.8 dyne/cm; (18)Enthalpy of Vaporization: 60.77 kJ/mol; (19)Vapour Pressure: 2.02×10^-5 mmHg at 25°C.

Uses: This chemical can react with 2,2-dimethyl-aziridine to prepare 2,2-dimethyl-1-(diphenylcarbamyl)aziridine. The yield is 75%.

While using this chemical, you should be very cautious. This chemical contacts with water liberates toxic gas. It can cause burns and cause sensitization by skin contact. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. And if contact with skin, you should wash immediately with plenty of soap-suds. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)N(c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C13H10ClNO/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
(3)InChIKey: XNBKKRFABABBPM-UHFFFAOYAY

The toxicity data is as follows: