CAS No.15678-99-6,N-(TERT-BUTYL)-2-CHLOROACETAMIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	15678-99-6
Name:	N-(TERT-BUTYL)-2-CHLOROACETAMIDE
Article Data:	40

Formula:	C₆H₁₂ClNO
Molecular Weight:	149.62
Synonyms:	Acetamide,N-tert-butyl-2-chloro- (6CI,8CI);2-Chloro-N-t-butylacetamide;N-Chloroacetyl-tert-butylamine;N-tert-Butyl-2-chloroacetamide;NSC 8361;a-Chloro-N-tert-butylacetamide;N-(tert-Butyl) 2-chloroacetamide;n-tert-butyl-2-chloroacetamide;
Density:	1.032 g/cm³
Boiling Point:	251.6 °C at 760 mmHg
Flash Point:	106 °C
Hazard Symbols:	Xi
Risk Codes:	Xi:Irritant; "> Xi:Irritant;
PSA:	29.10000
LogP:	1.53080

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Specification

The Acetamide,2-chloro-N-(1,1-dimethylethyl)-, with the CAS registry number 15678-99-6, has the systematic name of N-tert-butyl-2-chloroacetamide. And the molecular formula of this chemical is C₆H₁₂ClNO. It is a kind of irritant chemical, and also called N-(tert-Butyl) 2-chloroacetamide.

The physical properties of Acetamide,2-chloro-N-(1,1-dimethylethyl)- are as following: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.41; (4)ACD/LogD (pH 7.4): 0.41; (5)ACD/BCF (pH 5.5): 1.21; (6)ACD/BCF (pH 7.4): 1.21; (7)ACD/KOC (pH 5.5): 39.84; (8)ACD/KOC (pH 7.4): 39.84; (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: 1.441; (14)Molar Refractivity: 38.28 cm³; (15)Molar Volume: 144.9 cm³; (16)Polarizability: 15.17×10^-24cm³; (17)Surface Tension: 29.3 dyne/cm; (18)Density: 1.032 g/cm³; (19)Flash Point: 106 °C; (20)Enthalpy of Vaporization: 48.89 kJ/mol; (21)Boiling Point: 251.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0203 mmHg at 25°C.

Preparation of Acetamide,2-chloro-N-(1,1-dimethylethyl)-: This chemical can be prepared by tert-butylamine and chloroacetyl chloride. The reaction will need reagent aq. NaOH.

Acetamide,2-chloro-N-(1,1-dimethylethyl)- can be prepared by tert-butylamine and chloroacetyl chloride

Uses of Acetamide,2-chloro-N-(1,1-dimethylethyl)-: It can react with 2,3,3-trimethyl-3H-indole to produce 1-(N-tert-Butylcarbamoylmethyl)-2,3,3-trimethyl-3H-indolium Chloride. This reaction will need solvent xylene. The reaction time is 4.5 hours with temperature of 140°C, and the yield is about 35%.

Acetamide,2-chloro-N-(1,1-dimethylethyl)- can react with 2,3,3-trimethyl-3H-indole to produce 1-(N-tert-Butylcarbamoylmethyl)-2,3,3-trimethyl-3H-indolium Chloride

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)NC(C)(C)C
(2)InChI: InChI=1/C6H12ClNO/c1-6(2,3)8-5(9)4-7/h4H2,1-3H3,(H,8,9)
(3)InChIKey: NQVPSGXLCXZSTB-UHFFFAOYAO