CAS No.7355-58-0,N-(2-CHLOROETHYL)ACETAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7355-58-0
Name:	N-(2-CHLOROETHYL)ACETAMIDE
Article Data:	10

Formula:	C₄H₈ClNO
Molecular Weight:	121.567
Synonyms:	NSC 30247;N-Acetyl-2-chloroethylamine;N-(2-Chloroethyl)acetamide;N-(2-chloroethyl)acetamide;Acetamide, N-(2-chloroethyl)-;N-(2-chloroethyl)acetamide;
EINECS:	230-884-5
Density:	1.086 g/cm³
Boiling Point:	275.6 °C at 760 mmHg
Flash Point:	120.4 °C
Appearance:	clear colorless to slightly yellow viscous liquid
Hazard Symbols:	Xn
Risk Codes:	33
Safety:	24/25
PSA:	29.10000
LogP:	0.75220

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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