3-CHLORO-2,4-PENTANEDIONE Chemical Properties

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 Information

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

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS

3-CHLORO-2,4-PENTANEDIONE Usage And Synthesis

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.

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