Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

4-Acetamidobenzyl chloride

Related Products

Hot Products

Name

4-Acetamidobenzyl chloride

EINECS N/A
CAS No. 54777-65-0 Density 1.222 g/cm3
PSA 29.10000 LogP 2.45680
Solubility N/A Melting Point 151-154 °C
Formula C9H10ClNO Boiling Point 369.6 °C at 760 mmHg
Molecular Weight 183.637 Flash Point 177.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 54777-65-0 (4-ACETAMIDOBENZYL CHLORIDE) Hazard Symbols CorrosiveC IrritantXi
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;

Article Data 7

4-Acetamidobenzyl chloride 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

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 54777-65-0