3-CHLORO-2,4-PENTANEDIONE Property

Melting point:

-15 °C

Boiling point:

49-52 °C/18 mmHg (lit.)

Density 

1.1921 g/mL at 20 °C (lit.)

vapor pressure 

15 hPa (20 °C)

refractive index 

n20/D 1.483(lit.)

Flash point:

54 °F

storage temp. 

2-8°C

solubility 

7.65g/l

form 

Liquid

pka

6.77±0.46(Predicted)

Specific Gravity

1.129

color 

Clear yellow to very deep brown

PH

3.9 (7.65g/l, H2O, 20℃)

explosive limit

2.1%(V)

BRN 

605870

CAS DataBase Reference

1694-29-7(CAS DataBase Reference)

EPA Substance Registry System

2,4-Pentanedione, 3-chloro- (1694-29-7)

Safety

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26

RIDADR 

UN 1224 3/PG 3

WGK Germany 

3

F 

19

Autoignition Temperature

485 °C

HS Code 

2914 79 00

HazardClass 

3.1

PackingGroup 

II

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H226Flammable liquid and vapour

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

3-CHLORO-2,4-PENTANEDIONE Chemical Properties,Usage,Production

Chemical Properties

clear yellow to very deep brown liquid

Uses

3-Chloro-2,4-pentanedione was used in the synthesis of tetrathiafulvenyl-acetylacetonate (TTFSacacH), precursor of novel redox-active ligands.

General Description

The tautomeric properties of 3-chloro-2,4-pentanedione were studied using gas electron diffraction (GED) and quantum chemical calculations.