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Diphenylcarbamyl chloride

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Name

Diphenylcarbamyl chloride

EINECS 201-450-2
CAS No. 83-01-2 Density 1.269 g/cm3
PSA 20.31000 LogP 4.18350
Solubility reacts Melting Point 83-85 °C
Formula C13H10ClNO Boiling Point 361.8 °C at 760 mmHg
Molecular Weight 231.681 Flash Point 172.6 °C
Transport Information UN 3261 Appearance beige to grey-green crystalline powder
Safety 26-36/37/39-45-28A Risk Codes 34-43-29
Molecular Structure Molecular Structure of 83-01-2 (Diphenylcarbamyl chloride) Hazard Symbols CorrosiveC
Synonyms

Carbamicchloride, diphenyl- (9CI);Carbamoyl chloride, diphenyl- (6CI,7CI,8CI);Diphenylcarbamic chloride;Diphenylcarbamoyl chloride;Diphenylcarbamylchloride;Diphenylchloroformamide;N,N-Diphenylcarbamoyl chloride;NSC 6788;

Article Data 24

Diphenylcarbamyl chloride Specification

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:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 1500mg/kg (1500mg/kg) KIDNEY, URETER, AND BLADDER: CHANGES IN BOTH TUBULES AND GLOMERULI

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
National Technical Information Service. Vol. OTS0571683,

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