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Acetamide,N-(2-chloroethyl)-

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Name

Acetamide,N-(2-chloroethyl)-

EINECS 230-884-5
CAS No. 7355-58-0 Density 1.086 g/cm3
PSA 29.10000 LogP 0.75220
Solubility N/A Melting Point N/A
Formula C4H8ClNO Boiling Point 275.6 °C at 760 mmHg
Molecular Weight 121.567 Flash Point 120.4 °C
Transport Information N/A Appearance clear colorless to slightly yellow viscous liquid
Safety 24/25 Risk Codes 33
Molecular Structure Molecular Structure of 7355-58-0 (N-(2-CHLOROETHYL)ACETAMIDE) Hazard Symbols HarmfulXn
Synonyms

NSC 30247;N-Acetyl-2-chloroethylamine;N-(2-Chloroethyl)acetamide;N-(2-chloroethyl)acetamide;Acetamide, N-(2-chloroethyl)-;N-(2-chloroethyl)acetamide;

Article Data 10

Acetamide,N-(2-chloroethyl)- Specification

The Acetamide,N-(2-chloroethyl)-, with the CAS registry number 7355-58-0 and EINECS registry number 230-884-5, has the systematic name of N-(2-chloroethyl)acetamide. It is a kind of clear colorless to slightly yellow viscous liquid, and the molecular formula of the chemical is C4H8ClNO.

The characteristics of Acetamide,N-(2-chloroethyl)- are as followings: (1)ACD/LogP: -0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.45; (4)ACD/LogD (pH 7.4): -0.45; (5)ACD/BCF (pH 5.5): 1; (6)CD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.54; (8)ACD/KOC (pH 7.4): 13.54; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 29.05 cm3; (15)Molar Volume: 111.8 cm3; (16)Polarizability: 11.51×10-24cm3; (17)Surface Tension: 30.4 dyne/cm; (18)Density: 1.086 g/cm3; (19)Flash Point: 120.4 °C; (20)Enthalpy of Vaporization: 51.4 kJ/mol; (21)Boiling Point: 275.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00506 mmHg at 25°C.

Preparation of Acetamide,N-(2-chloroethyl)-: This chemical can be prepared by 2-methyl-4,5-dihydro-oxazole and chloro-trimethyl-silane. The reaction will need menstruum methanol. The reaction time is 20 hours with temperature of 20°C, and the yield is about 87%. 

Uses of Acetamide,N-(2-chloroethyl)-: It can react with 3-piperazin-1-yl-propan-1-ol to produce 1-(2-acetylaminoethyl)-4-(3-hydroxypropyl)piperazine. This reaction will need menstruum benzene. The reaction time is 12 hours with heating, and the yield is about 34%.  

You should be cautious while dealing with this chemical. There's danger of cumulative effects. Therefore, you had better Avoid contact with skin and eyes.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClCCNC(=O)C
(2)InChI: InChI=1/C4H8ClNO/c1-4(7)6-3-2-5/h2-3H2,1H3,(H,6,7)
(3)InChIKey: HSKNJSHFPPHTAQ-UHFFFAOYAU

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