3-Chloropropyl acetate

This chemical is called 3-Chloropropyl acetate, and it can also be named as 1-propanol, 3-chloro-, acetate. The CAS registry number of this chemical is 628-09-1, and its product categories are Intermediates of Dyes and Pigments; C2 to C5; Carbonyl Compounds; Esters. This chemical is clear colorless liquid. It's soluble in ether, ethanol, acetone, insoluble in water. 

Other characteristics of the 3-Chloropropyl acetate can be summarised as followings: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): 1.16; (5)ACD/BCF (pH 5.5): 4.52; (6)ACD/BCF (pH 7.4): 4.52; (7)ACD/KOC (pH 5.5): 102.39; (8)ACD/KOC (pH 7.4): 102.39; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.419; (14)Molar Refractivity: 31.83 cm³; (15)Molar Volume: 125.9 cm³; (16)Polarizability: 12.62×10^-24cm³; (17)Surface Tension: 29.8 dyne/cm; (18)Density: 1.084 g/cm³; (19)Flash Point: 67.8 °C; (20)Enthalpy of Vaporization: 40.9 kJ/mol; (21)Boiling Point: 172.6 °C at 760 mmHg; (22)Vapour Pressure: 1.32 mmHg at 25°C.

Production method of this chemical: The 3-Chloropropyl acetate could be obtained by the reactants of 1-bromo-3-chloro-propane and acetic acid; potassium salt. This reaction needs the reagent of NBu₄Br, and the solvent of neat (no solvent). The yield is 92 %. In addition, this reaction should be taken for 20 hours at the ambient temperature.

Uses of this chemical: The oxetane could be obtained by the reactant of 3-Chloropropyl acetate. This reaction needs the reagents of potassium hydroxide and water. This reaction should be taken at the temperature of 150 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	5290mg/kg (5290mg/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. Link to PubMed