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

Benzyl chloroacetate

Related Products

Hot Products

Name

Benzyl chloroacetate

EINECS 205-400-0
CAS No. 140-18-1 Density 1.202 g/cm3
PSA 26.30000 LogP 1.96860
Solubility insoluble in water Melting Point 90
Formula C9H9ClO2 Boiling Point 252.847 °C at 760 mmHg
Molecular Weight 184.622 Flash Point 117.916 °C
Transport Information N/A Appearance Colorless liquid.
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 140-18-1 (Benzyl 2-chloroacetate) Hazard Symbols IrritantXi
Synonyms

Aceticacid, chloro-, benzyl ester (6CI,7CI,8CI);Acetic acid, chloro-, phenylmethylester (9CI);Benzyl 2-chloroacetate;Benzyl chloroacetate;Benzyl a-chloroacetate;Chloroacetic acidbenzyl ester;NSC 8061;

Article Data 23

Benzyl chloroacetate Consensus Reports

Reported in EPA TSCA Inventory.

Benzyl chloroacetate Specification

The Benzyl chloroacetate, with the CAS registry number 140-18-1, is also known as Acetic acid, 2-chloro-, phenylmethyl ester. It belongs to the product categories of C8 to C9; Carbonyl Compounds; Esters. Its EINECS registry number is 205-400-0. This chemical's molecular formula is C9H9ClO2 and molecular weight is 184.61956. Its IUPAC name is called benzyl 2-chloroacetate. This product which can be used in organic syntheses should be kept sealed.

Physical properties of Benzyl chloroacetate: (1)ACD/LogP: 2.20; (2)ACD/LogD (pH 5.5): 2.2; (3)ACD/LogD (pH 7.4): 2.2; (4)ACD/BCF (pH 5.5): 27.87; (5)ACD/BCF (pH 7.4): 27.87; (6)ACD/KOC (pH 5.5): 376.72; (7)ACD/KOC (pH 7.4): 376.72; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.524; (11)Molar Refractivity: 47.05 cm3; (12)Molar Volume: 153.6 cm3; (13)Surface Tension: 40.2 dyne/cm; (14)Density: 1.201 g/cm3; (15)Flash Point: 117.9 °C; (16)Enthalpy of Vaporization: 49.02 kJ/mol; (17)Boiling Point: 252.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0189 mmHg at 25°C.

Preparation: this chemical can be prepared by chloroacetic acid and phenylmethanol. This reaction will need reagent HCl.

Uses of Benzyl chloroacetate: it can be used to produce benzyl diethylphosphonoacetate at temperature of 0 °C. This reaction will need solvent tetrahydrofuran with reaction time of 0.5 hours. The yield is about 60%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)COC(=O)CCl
(2)InChI: InChI=1S/C9H9ClO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2
(3)InChIKey: SOGXBRHOWDEKQB-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 8, Pg. 99, 1956.

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 140-18-1