ChemicalBook--->CAS DataBase List--->14064-10-9

14064-10-9

14064-10-9 Structure

14064-10-9 Structure
IdentificationMore
[Name]

Diethyl chloromalonate
[CAS]

14064-10-9
[Synonyms]

CHLOROMALONIC ACID DIETHYL ESTER
DIETHYL CHLOROMALONATE
RARECHEM AL BI 0643
Chloropropanedioicaciddiethylester
chloro-propanedioicacidiethylester
α-Chlorodiethylmalonate
Propanedioic acid, chloro-, diethyl ester
2-chloro-malonic acid diethyl ester
Ethyl chloromalonate
Diethyl chloromalonate ,98%
Diethyl chloromalonate ,90%
2-Chloromalonic acid diethyl
Chloromalonic acid diethyl
[EINECS(EC#)]

237-913-0
[Molecular Formula]

C7H11ClO4
[MDL Number]

MFCD00009140
[Molecular Weight]

194.61
[MOL File]

14064-10-9.mol
Chemical PropertiesBack Directory
[Boiling point ]

279.11°C (rough estimate)
[density ]

1.204 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.432(lit.)
[Fp ]

>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)
[color ]

Clear colorless
[Specific Gravity]

1.204
[Detection Methods]

GC,NMR
[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]

14064-10-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)Environment (GHS09)
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 ]

R34:Causes burns.
R36/37:Irritating to eyes and respiratory system .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3265 8/PG 2
[WGK Germany ]

3
[TSCA ]

TSCA listed
[REACH Registrations]

Inactive
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29171990
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Aquatic Acute 1
Eye Dam. 1
Skin Corr. 1B
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Dichloromethane-->Sodium bicarbonate-->Chlorine-->Sodium sulfite-->Sodium hypochlorite-->Diethyl malonate-->Sulfuryl chloride-->diethyl dichloromalonate-->Methanesulfinic acid, 1,1,1-trifluoro--->Diethyl ethylchloromalonate
[Preparation Products]

2-chloropropane-1,3-diol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Diethyl chloromalonate(14064-10-9).msds
Hazard InformationBack Directory
[Chemical Properties]

Clear Colourless Liquid
[Uses]

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

Diethyl chloromalonate is a compound used in the models of aquatic toxicity developed
[General Description]

Diethyl chloromalonate (Diethyl α-chloromalonate) is a 2-halo-1,3-dicarbonyl compound. It participates in K2CO3-catalyzed domino reactions (Michael alkylation, Mannich alkylation, and aldol alkylation) of salicylic aldehyde derivatives to afford functionalized 2,3-dihydrobenzofurans. It reacts with Cs2CO3 in the presence of elemental S8 or Sen to afford the corresponding diethyl thioxo- or selenoxomalonates, which can be trapped in situ with various 1,3-dienes.
Spectrum DetailBack Directory
[Spectrum Detail]

Diethyl chloromalonate(14064-10-9)MS
Diethyl chloromalonate(14064-10-9)1HNMR
Diethyl chloromalonate(14064-10-9)13CNMR
Diethyl chloromalonate(14064-10-9)IR1
Diethyl chloromalonate(14064-10-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

14064-10-9(sigmaaldrich)
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