Acetamide,2-chloro-N-(2-methoxyphenyl)- supplier

Name
2-CHLORO-N-(2-METHOXYPHENYL)ACETAMIDE
EINECS
CAS No. 55860-22-5
Article Data50
CAS DataBase
Density 1.264g/cm³
Solubility
Melting Point
Formula C₉H₁₀ClNO₂
Boiling Point 339 °C at 760 mmHg
Molecular Weight 199.637
Flash Point 158.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms o-Acetanisidide,2-chloro- (6CI);2-Chloro-N-(2-methoxyphenyl)acetamide;2-Chloro-o-acetanisidide;N-(2-Anisyl)chloroacetamide;N-Chloroacetyl-2-methoxyaniline;NSC 8284;
PSA 38.33000
LogP 1.94550

Acetamide,2-chloro-N-(2-methoxyphenyl)- Specification

The Acetamide,2-chloro-N-(2-methoxyphenyl)-, with CAS registry number 55860-22-5, has the systematic name of 2-chloro-N-(2-methoxyphenyl)acetamide. Besides this, it is also called Acetamide, 2-chloro-n-(2-methoxyphenyl)-. Its classification code is Drug / Therapeutic Agent. And the chemical formula of this chemical is C₉H₁₀ClNO₂.

Physical properties of Acetamide,2-chloro-N-(2-methoxyphenyl)-: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.51; (6)ACD/BCF (pH 7.4): 8.51; (7)ACD/KOC (pH 5.5): 161.21; (8)ACD/KOC (pH 7.4): 161.22; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 52.05 cm³; (15)Molar Volume: 157.9 cm³; (16)Polarizability: 20.63×10^-24cm³; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.264 g/cm³; (19)Flash Point: 158.8 °C; (20)Enthalpy of Vaporization: 58.24 kJ/mol; (21)Boiling Point: 339 °C at 760 mmHg; (22)Vapour Pressure: 9.47E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methoxy-aniline and chloroacetyl chloride. The yield is about 81%.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)Nc1ccccc1OC
(2)InChI: InChI=1/C9H10ClNO2/c1-13-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
(3)InChIKey: IBXYYSDKRPMGKD-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H10ClNO2/c1-13-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
(5)Std. InChIKey: IBXYYSDKRPMGKD-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1597mg/kg (1597mg/kg)	BEHAVIORAL: ANALGESIA	Farmaco, Edizione Scientifica. Vol. 38, Pg. 847, 1983.

Product Name

2-CHLORO-N-(2-METHOXYPHENYL)ACETAMIDE

Acetamide,2-chloro-N-(2-methoxyphenyl)- Specification

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