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1131-01-7

Basic Information
CAS No.: 1131-01-7
Name: Acetamide, 2-chloro-N-(2,6-dimethylphenyl)-
Molecular Structure:
Molecular Structure of 1131-01-7 (Acetamide, 2-chloro-N-(2,6-dimethylphenyl)-)
Formula: C10H12ClNO
Molecular Weight: 197.66
Synonyms: Chloroacetamido-2,6-xylidine;2,6-Acetoxylidide, 2-chloro- (8CI);2-Chloro-2,6-acetoxylidide;[(2,6-Dimethylphenyl)-aminocarbonylmethyl] chloride;N-(Chloroacetyl)-2,6-diethylaniline;N-Chloracetyl-2,6-dimethylaniline;2-Chloroaceto-2,6-xylidide;1-Chloroacetylamino-2,6-dimethylbenzene;N-Chloroacetyl-2,6-dimethylaniline;2-Chloro-2,6-dimethylacetanilide;2,6-Acetoxylidide, 2-chloro-;Chloroaceto-2,6-xylidide;Acetamide, 2-chloro-N- (2,6-dimethylphenyl)-;1-Chloroacetylamino-2,6-dimethylbenzene;alpha-Chloro-2,6-dimethylacetanilide;
EINECS: 214-460-7
Density: 1.187 g/cm3
Melting Point: 143-148 °C
Boiling Point: 316.766 °C at 760 mmHg
Flash Point: 145.375 °C
Solubility: Soluble in Chloroform, Methanol. Insoluble in water.
Appearance: beige needles or crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
Transport Information:
PSA: 29.10000
LogP: 2.55370
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Specification

The 2-Chloro-N-(2,6-dimethylphenyl)acetamide, with the CAS registry number 1131-01-7, is also known as N-Chloroacetyl-2,6-dimethylaniline. It belongs to the product categories of Amides; Carbonyl Compounds; Organic Building Blocks; Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 214-460-7. This chemical's molecular formula is C10H12ClNO and molecular weight is 197.66. What's more, its systematic name is 2-Chloro-N-(2,6-dimethylphenyl)acetamide. This chemical should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices. It is used as medical intermediate.

Physical properties of 2-Chloro-N-(2,6-dimethylphenyl)acetamide are: (1)ACD/LogP: 1.465; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 7.65; (6)ACD/BCF (pH 7.4): 7.65; (7)ACD/KOC (pH 5.5): 149.33; (8)ACD/KOC (pH 7.4): 149.36; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.1 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 55.024 cm3; (15)Molar Volume: 166.451 cm3; (16)Polarizability: 21.813×10-24cm3; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.187 g/cm3; (19)Flash Point: 145.375 °C; (20)Enthalpy of Vaporization: 55.812 kJ/mol; (21)Boiling Point: 316.766 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by chloroacetyl chloride and 2,6-dimethyl-aniline by heating. This reaction will need reagent magnesium oxide and solvent CHCl3 with the reaction time of 2 hours. The yield is about 86%.

2-Chloro-N-(2,6-dimethylphenyl)acetamide can be prepared by chloroacetyl chloride and 2,6-dimethyl-aniline by heating

Uses of 2-Chloro-N-(2,6-dimethylphenyl)acetamide: it can be used to produce N-(2,6-dimethyl-phenyl)-2-(2-oxo-2-phenyl-ethylsulfanyl)-acetamide at the temperature of 50 °C. It will need reagent K2CO3 and solvent tetrahydrofuran with the reaction time of 6 hours. The yield is about 90%.

2-Chloro-N-(2,6-dimethylphenyl)acetamide can be used to produce N-(2,6-dimethyl-phenyl)-2-(2-oxo-2-phenyl-ethylsulfanyl)-acetamide at the temperature of 50 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1c(cccc1C)C)CCl
(2)Std. InChI: InChI=1S/C10H12ClNO/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
(3)Std. InChIKey: FPQQSNUTBWFFLB-UHFFFAOYSA-N