CAS No.2564-06-9,N-Benzyl-2-chloroacetamide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2564-06-9
Name:	N-Benzyl-2-chloroacetamide
Article Data:	125

Formula:	C₉H₁₀ClNO
Molecular Weight:	183.637
Synonyms:	Acetamide,N-benzyl-2-chloro- (6CI,7CI,8CI);2-Chloro-N-(phenylmethyl)acetamide;2-Chloro-N-benzylacetamide;N-(Chloroacetyl)benzylamine;N-Benzyl-2-chloroacetamide;N-Benzyl-a-chloroacetamide;N-Benzylchloroacetamide;NSC 60743;
Density:	1.176 g/cm³
Melting Point:	93-96 °C(lit.)
Boiling Point:	367.5 °C at 760 mmHg
Flash Point:	176 °C
Hazard Symbols:	Xi
PSA:	29.10000
LogP:	1.93250

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Specification

The N-Benzyl-2-chloroacetamide, with the CAS registry number 2564-06-9, is also known as 2-Chloro-N-benzylacetamide. It belongs to the product categories of Phenyls & Phenyl-Het; Phenyls & Phenyl-Het; Amides; Carbonyl Compounds; Organic Building Blocks. This chemical's molecular formula is C₉H₁₀ClNO and formula weight is 183.63. What's more, its IUPAC name and systematic name are the same which is called N-benzyl-2-chloroacetamide. This chemical's classification codes are Drug / Therapeutic Agent and Mutation data. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.

Physical properties of N-Benzyl-2-chloroacetamide: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 3.49; (6)ACD/BCF (pH 7.4): 3.49; (7)ACD/KOC (pH 5.5): 85.23; (8)ACD/KOC (pH 7.4): 85.23; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.539; (13)Molar Refractivity: 48.9 cm³; (14)Molar Volume: 156 cm³; (15)Surface Tension: 41 dyne/cm; (16)Density: 1.176 g/cm³; (17)Melting Point: 93-96 °C(lit.); (18)Flash Point: 176 °C; (19)Enthalpy of Vaporization: 61.4 kJ/mol; (20)Boiling Point: 367.5 °C at 760 mmHg; (21)Vapour Pressure: 1.36E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by chloroacetyl chloride and benzylamine. This reaction will need reagent triethylamine and solvent tetrahydrofuran. The reaction time is 4.5 hours with reaction temperature of 0-20 ℃.

Uses of N-Benzyl-2-chloroacetamide: it can be used to produce N,N-diethyl-glycine benzylamide. This reaction will need solvent dimethylformamide with reaction time of 1 hours. The yield is about 85%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CNC(=O)CCl
(2)InChI: InChI=1S/C9H10ClNO/c10-6-9(12)11-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
(3)InChIKey: SRAXAXHQMCQHSH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	290mg/kg (290mg/kg)		Archiv der Pharmazie Vol. 306, Pg. 310, 1973.