CAS No.135709-69-2,2-CHLORO-N-(2-THIEN-2-YLETHYL)ACETAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	135709-69-2
Name:	2-CHLORO-N-(2-THIEN-2-YLETHYL)ACETAMIDE
Article Data:	3

Formula:	C₈H₁₀ClNOS
Molecular Weight:	203.692
Synonyms:	2-Chloro-N-(2-thiophen-2-ylethyl)acetamide;2-Chloro-N-(2-thien-2-ylethyl)acetamide;
Density:	1.256 g/cm³
Boiling Point:	388.9 °C at 760 mmHg
Flash Point:	189 °C
PSA:	57.34000
LogP:	2.03650

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Specification

The Acetamide,2-chloro-N-[2-(2-thienyl)ethyl]-, with the CAS registry number 135709-69-2, is also known as 2-Chloro-N-(2-thien-2-ylethyl)acetamide. This chemical's molecular formula is C₈H₁₀ClNOS and molecular weight is 203.69. What's more, its systematic name is 2-Chloro-N-(2-thiophen-2-ylethyl)acetamide.

Physical properties of Acetamide,2-chloro-N-[2-(2-thienyl)ethyl]- are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 3.59; (6)ACD/BCF (pH 7.4): 3.59; (7)ACD/KOC (pH 5.5): 86.91; (8)ACD/KOC (pH 7.4): 86.91; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 48.55 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 51.92 cm³; (15)Molar Volume: 162 cm³; (16)Polarizability: 20.58×10^-24cm³; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.256 g/cm³; (19)Flash Point: 189 °C; (20)Enthalpy of Vaporization: 63.82 kJ/mol; (21)Boiling Point: 388.9 °C at 760 mmHg; (22)Vapour Pressure: 2.96E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-thiophen-2-yl-ethylamine and chloroacetyl chloride at the ambient temperature. This reaction will need reagent 50 percent aq. K₂CO₃ and solvent CH₂Cl₂. The yield is about 100%.

Acetamide,2-chloro-N-[2-(2-thienyl)ethyl]- can be prepared by 2-thiophen-2-yl-ethylamine and chloroacetyl chloride at the ambient temperature

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC(=C1)CCNC(=O)CCl
(2)InChI: InChI=1S/C8H10ClNOS/c9-6-8(11)10-4-3-7-2-1-5-12-7/h1-2,5H,3-4,6H2,(H,10,11)
(3)InChIKey: BPGNKQFHHAQFBR-UHFFFAOYSA-N