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

4-Chlorobutyl acetate

Related Products

Hot Products

Name

4-Chlorobutyl acetate

EINECS 230-158-8
CAS No. 6962-92-1 Density 1.057 g/cm3
PSA 26.30000 LogP 1.56850
Solubility inmisceable in water Melting Point N/A
Formula C6H11ClO2 Boiling Point 194.9 °C at 760 mmHg
Molecular Weight 150.605 Flash Point 64.4 °C
Transport Information N/A Appearance clear colorless liquid
Safety 26-36-37/39 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 6962-92-1 (4-Chlorobutyl acetate) Hazard Symbols IrritantXi
Synonyms

1-Butanol,4-chloro-, acetate (6CI,7CI,8CI,9CI);1-Acetoxy-4-chlorobutane;1-Chloro-4-acetoxybutane;4-Chlorobutyl acetate;NSC 54074;1-butanol, 4-chloro-, acetate;4-Chlorobutyl acetate;ω-Chlorobutyl acetate;

Article Data 72

4-Chlorobutyl acetate Specification

The 4-Chlorobutyl acetate, with the CAS registry number 6962-92-1 and EINECS registry number 6962-92-1, is also called 1-Butanol, 4-chloro-, 1-acetate. It is a kind of clear colorless liquid, and belongs to the following product categories: C6 to C7; Carbonyl Compounds; Esters. And the molecular formula of this chemical is C6H11ClO2.

The physical properties of 4-Chlorobutyl acetate are as followings: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 9.53; (6)ACD/BCF (pH 7.4): 9.53; (7)ACD/KOC (pH 5.5): 174.76; (8)ACD/KOC (pH 7.4): 174.76; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.425; (14)Molar Refractivity: 36.47 cm3; (15)Molar Volume: 142.4 cm3; (16)Polarizability: 14.45×10-24cm3; (17)Surface Tension: 30.2 dyne/cm; (18)Density: 1.057 g/cm3; (19)Flash Point: 64.4 °C; (20)Enthalpy of Vaporization: 43.11 kJ/mol; (21)Boiling Point: 194.9 °C at 760 mmHg; (22)Vapour Pressure: 0.432 mmHg at 25°C.

Preparation of 4-Chlorobutyl acetate: This chemical can be prepared by tetrahydrofuran and acetyl chloride. The reaction will need solvent acetonitrile. The reaction time is 24 hours with temperature of 62°C, and the yield is about 81%. 

4-Chlorobutyl acetate can be prepared by tetrahydrofuran and acetyl chloride

Uses of 4-Chlorobutyl acetate: It can react with acetic acid; potassium salt to produce 1,4-diacetoxy-butane. This reaction will need reagent polyethylene glycol 400. The reaction time is 8 hours with temperature of 100-110°C, and the yield is about 78%.   

4-Chlorobutyl acetate can react with acetic acid; potassium salt to produce 1,4-diacetoxy-butane

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

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCCOC(=O)C
(2)InChI: InChI=1/C6H11ClO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
(3)InChIKey: PYLDCZJUHYVOAF-UHFFFAOYAN

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1700mg/kg (1700mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

LIVER: OTHER CHANGES
Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 26, Pg. 17, 1980.
 

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 6962-92-1