3-Chloro-2,4-pentanedione Structure

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
InChI 1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3
InChIKey VLRGXXKFHVJQOL-UHFFFAOYSA-N
SMILES CC(=O)C(Cl)C(C)=O
CAS DataBase Reference 1694-29-7(CAS DataBase Reference)
FDA UNII XKV5PX3SLJ
EPA Substance Registry System 2,4-Pentanedione, 3-chloro- (1694-29-7)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H226-H315-H319-H335
Precautionary statements P210-P302+P352-P305+P351+P338
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
TSCA  TSCA listed
HS Code  2914 79 00
HazardClass  3.1
PackingGroup  II
Storage Class 3 - Flammable liquids
Hazard Classifications Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
NFPA 704:
3
1 0

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