Diethyl chloromalonate , 95% , 14064-10-9

CAS NO.：14064-10-9

Empirical Formula: C7H11ClO4

Molecular Weight: 194.61

MDL number: MFCD00009140

EINECS: 237-913-0

PRODUCT 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)
• EPA Substance Registry System: Propanedioic acid, 2-chloro-, 1,3-diethyl ester (14064-10-9)

Description and Uses

A compound used in the models of aquatic toxicity developed (QSAR). Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis.

Safety

• Symbol(GHS): GHS05,GHS07,GHS09
• Signal word: Danger
• 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
• HazardClass: 8
• PackingGroup: III
• HS Code: 29171990
• Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)