Diethyl chloromalonate Structure

Diethyl chloromalonate

Chemical Properties

Boiling point 279.11°C (rough estimate)
Density  1.204 g/mL at 25 °C (lit.)
refractive index  n20/D 1.432(lit.)
Flash point >230 °F
storage temp.  Inert atmosphere,2-8°C
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form  Liquid
pka 9.07±0.46(Predicted)
Specific Gravity 1.204
color  Clear colorless
InChI InChI=1S/C7H11ClO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3
InChIKey WLWCQKMQYZFTDR-UHFFFAOYSA-N
SMILES C(OCC)(=O)C(Cl)C(OCC)=O
LogP 2.23 at 40℃ and pH4-9
CAS DataBase Reference 14064-10-9(CAS DataBase Reference)
FDA UNII 8Y5J45M964
EPA Substance Registry System Propanedioic acid, 2-chloro-, 1,3-diethyl ester (14064-10-9)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Corrosion (GHS05)Exclamation Mark (GHS07)Environment (GHS09)
Signal wordDanger
Hazard statements H314-H335-H400
Precautionary statements P261-P271-P273-P280-P303+P361+P353-P305+P351+P338
Hazard Codes  C
Risk Statements  34-36/37
Safety Statements  26-27-28-36/37/39-45
RIDADR  UN 3265 8/PG 2
WGK Germany  3
TSCA  TSCA listed
HazardClass  8
PackingGroup  III
HS Code  2917190090
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Aquatic Acute 1
Eye Dam. 1
Skin Corr. 1B
STOT SE 3

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