CAS No.54777-65-0,4-ACETAMIDOBENZYL CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	54777-65-0
Name:	4-ACETAMIDOBENZYL CHLORIDE
Article Data:	7

Formula:	C₉H₁₀ClNO
Molecular Weight:	183.637
Synonyms:	p-Acetotoluidide,a-chloro- (6CI,7CI);4-Acetamidobenzyl chloride;4-Acetylaminobenzyl chloride;4'-(Chloromethyl)acetanilide;N-[4-(Chloromethyl)phenyl]acetamide;N-[p-(Chloromethyl)phenyl]acetamide;
Density:	1.222 g/cm³
Melting Point:	151-154 °C
Boiling Point:	369.6 °C at 760 mmHg
Flash Point:	177.3 °C
Hazard Symbols:	C Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	29.10000
LogP:	2.45680

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Specification

The 4-Acetamidobenzyl chloride, with the CAS registry number 54777-65-0, has the systematic name of N-[4-(chloromethyl)phenyl]acetamide. It is a kind of corrosive chemical, and the its molecular formula is C₉H₁₀ClNO.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 6.26; (6)ACD/BCF (pH 7.4): 6.26; (7)ACD/KOC (pH 5.5): 129.42; (8)ACD/KOC (pH 7.4): 129.42; (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: 1.584; (14)Molar Refractivity: 50.29 cm³; (15)Molar Volume: 150.2 cm³; (16)Polarizability: 19.93×10^-24cm³; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.222 g/cm³; (19)Flash Point: 177.3 °C; (20)Enthalpy of Vaporization: 61.64 kJ/mol; (21)Boiling Point: 369.6 °C at 760 mmHg; (22)Vapour Pressure: 1.18E-05 mmHg at 25°C.

Preparation of 4-Acetamidobenzyl chloride: This chemical can be prepared by hydroxymethyl-4' acetanilide. The reaction will need reagent CaCl₂ and HCl, and the menstruum CHCl₃. The reaction time is 10 minutes with ambient temperature, and the yield is about 70%.

Uses of 4-Acetamidobenzyl chloride: It can react with 2-methyl-prop-2-en-1-ol to produce N-[4-(2-methyl-allyloxymethyl)-phenyl]-acetamide. This reaction will need reagent NaH, and the menstruum dimethylformamide. The reaction time is 10 minutes with temperature of 0°C, and the yield is about 56%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)CCl)C
(2)InChI: InChI=1/C9H10ClNO/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,6H2,1H3,(H,11,12)
(3)InChIKey: CRHLVANTDHUAOY-UHFFFAOYAZ