Acetamide,2-chloro-N-(4-ethoxyphenyl)- supplier

Name
2-Chloro-p-acetophenetidide
EINECS
CAS No. 2153-08-4
Article Data18
CAS DataBase
Density 1.225 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂ClNO₂
Boiling Point 387.1 °C at 760 mmHg
Molecular Weight 213.664
Flash Point 187.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms p-Acetophenetidide,2-chloro- (6CI,7CI,8CI);2-Chloro-4'-ethoxyacetanilide;2-Chloro-N-(4-ethoxyphenyl)acetamide;N-Chloroacetyl-4-ethoxyaniline;NSC46900;a-Chloro-p-ethoxyacetanilide;
PSA 38.33000
LogP 2.33560

Acetamide,2-chloro-N-(4-ethoxyphenyl)- Specification

The Acetamide,2-chloro-N-(4-ethoxyphenyl)-, with the CAS registry number 2153-08-4, has the systematic name of 2-chloro-N-(4-ethoxyphenyl)acetamide. And the molecular formula of this chemical is C₁₀H₁₂ClNO₂. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of Acetamide,2-chloro-N-(4-ethoxyphenyl)- are as following: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.35; (6)ACD/BCF (pH 7.4): 26.36; (7)ACD/KOC (pH 5.5): 361.96; (8)ACD/KOC (pH 7.4): 361.98; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 56.68 cm³; (15)Molar Volume: 174.4 cm³; (16)Polarizability: 22.47×10^-24cm³; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.225 g/cm³; (19)Flash Point: 187.9 °C; (20)Enthalpy of Vaporization: 63.61 kJ/mol; (21)Boiling Point: 387.1 °C at 760 mmHg; (22)Vapour Pressure: 3.38E-06 mmHg at 25°C.

Uses of Acetamide,2-chloro-N-(4-ethoxyphenyl)-: It can react with 3-hydrazino-5H-[1,2,4]triazino[5,6-b]indole to produce N-(4-ethoxy-phenyl)-2-[N'-(9H-1,3,4,9-tetraaza-fluoren-2-yl)-hydrazino]-acetamide. This reaction will need solvent ethanol. The reaction time is 3 hours with heating, and the yield is about 64%.

Acetamide,2-chloro-N-(4-ethoxyphenyl)- can react with 3-hydrazino-5H-[1,2,4]triazino[5,6-b]indole to produce N-(4-ethoxy-phenyl)-2-[N'-(9H-1,3,4,9-tetraaza-fluoren-2-yl)-hydrazino]-acetamide

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)Nc1ccc(OCC)cc1
(2)InChI: InChI=1/C10H12ClNO2/c1-2-14-9-5-3-8(4-6-9)12-10(13)7-11/h3-6H,2,7H2,1H3,(H,12,13)
(3)InChIKey: NKPPVEIJXVVHGF-UHFFFAOYAN

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	180mg/kg (180mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02859,

Product Name

2-Chloro-p-acetophenetidide

Acetamide,2-chloro-N-(4-ethoxyphenyl)- Specification

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