CAS 685-88-1|Diethyl fluoromalonate

Introduction：Basic information about CAS 685-88-1|Diethyl fluoromalonate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles2
7. Synonyms

Common Name	Diethyl fluoromalonate
CAS Number	685-88-1	Molecular Weight	178.158
Density	1.1±0.1 g/cm3	Boiling Point	222.3±0.0 °C at 760 mmHg
Molecular Formula	C₇H₁₁FO₄	Melting Point	/
MSDS	ChineseUSA	Flash Point	62.2±0.0 °C
Symbol	GHS05	Signal Word	Danger

Names

Name	Diethyl Fluoromalonate
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.1±0.1 g/cm3
Boiling Point	222.3±0.0 °C at 760 mmHg
Molecular Formula	C₇H₁₁FO₄
Molecular Weight	178.158
Flash Point	62.2±0.0 °C
Exact Mass	178.064133
PSA	52.60000
LogP	0.61
Vapour Pressure	0.1±0.4 mmHg at 25°C
Index of Refraction	1.401
InChIKey	GOWQBFVDZPZZFA-UHFFFAOYSA-N
SMILES	CCOC(=O)C(F)C(=O)OCC

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: OO1670000

CHEMICAL NAME :: Malonic acid, fluoro-, diethyl ester

CAS REGISTRY NUMBER :: 685-88-1

BEILSTEIN REFERENCE NO. :: 1775686

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H11-F-O4

MOLECULAR WEIGHT :: 178.18

WISWESSER LINE NOTATION :: 2OVYFVO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 70 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - body temperature decrease

REFERENCE :: BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 6,169,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 15 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - body temperature decrease

REFERENCE :: BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 6,169,1961

Safety Information

Symbol	GHS05
Signal Word	Danger
Hazard Statements	H314
Precautionary Statements	P280-P305 + P351 + P338-P310
Personal Protective Equipment	Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	C:Corrosive;
Risk Phrases	R34
Safety Phrases	S26-S36/37/39-S45-S25
RIDADR	UN 3265 8/PG 2
WGK Germany	3
RTECS	OO1670000
Packaging Group	III
Hazard Class	8
HS Code	2917190090

Customs

HS Code	2917190090
Summary	2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles2

Palladium-catalyzed arylation of malonates and cyanoesters using sterically hindered trialkyl- and ferrocenyldialkylphosphine ligands.

J. Org. Chem. 67(2) , 541-55, (2002)

Palladium-catalyzed reactions of aryl bromides and chlorides with two common stabilized carbanions-enolates of dialkyl malonates and alkyl cyanoesters-are reported. An exploration of the scope of thes...

Fluorinated probes to measure carboxylesterase activities using 19F NMR spectroscopy: application to erythrocytes and Helicobacter pylori.

Arch. Biochem. Biophys. 305(2) , 252-60, (1993)

Eight fluorinated compounds were tested as putative probes to measure carboxylesterase activity employing 19F nuclear magnetic resonance spectroscopy. The method takes advantage of the sensitivity of ...

Synonyms

MFCD00009139

EINECS 211-684-7

diethyl 2-fluoropropanedioate

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