Ethoxymethylenemalononitrile

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Names

[ CAS No. ]:
123-06-8

[ Name ]:
Ethoxymethylenemalononitrile

[Synonym ]:
α-Cyano-β-ethoxyacrylonitrile
Propanedinitrile, 2-(ethoxymethylene)-
MFCD00001854
2-(ethoxymethylidene)propanedinitrile
ethoxymethylenemalononitrile
EINECS 204-597-0
(Ethoxymethylene)-propanedinitrile
(Ethoxymethylene)malononitrile
2-(ethoxymethylene)malononitrile

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
296.1±0.0 °C at 760 mmHg

[ Melting Point ]:
64-66 °C(lit.)

[ Molecular Formula ]:
C6H6N2O

[ Molecular Weight ]:
122.125

[ Flash Point ]:
135.1±15.2 °C

[ Exact Mass ]:
122.048012

[ PSA ]:
56.81000

[ LogP ]:
0.31

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.461

[ Storage condition ]:
2~8℃

[ Water Solubility ]:
insoluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO3850000
CHEMICAL NAME :
Malononitrile, (ethoxymethylene)-
CAS REGISTRY NUMBER :
123-06-8
BEILSTEIN REFERENCE NO. :
1634241
LAST UPDATED :
199710
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C6-H6-N2-O
MOLECULAR WEIGHT :
122.14
WISWESSER LINE NOTATION :
NCYCN&1O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

Safety Information

[ Symbol ]:

GHS07, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H317-H334

[ Precautionary Statements ]:
P261-P280-P342 + P311

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
T:Toxic;Xn:Harmful;

[ Risk Phrases ]:
R22;R23/24/25;R42/43

[ Safety Phrases ]:
S22-S36/37-S45-S36/37/39-S26

[ RIDADR ]:
3439

[ WGK Germany ]:
3

[ RTECS ]:
OO3850000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Triethyl orthoformate
  • Malononitrile
  • (1SR,3SR)-spiro[(2,2-dicyano-3-ethoxy)cyclobutan-1,3'-(1'-acetyl)-2'-oxoindoline]
  • Ethoxyethene
  • Ethyl iodide
  • 2-(1-acetyl-2-oxoindol-3-ylidene)propanedinitrile
  • Ethanoic anhydride

DownStream

  • 5-Amino-1-[(4-methylphenyl)sulfonyl]-1H-pyrazole-4-carbonitrile
  • 5-AMINO-1-(PYRIDIN-4-YL)-1H-PYRAZOLE-4-CARBONITRILE
  • 2-AMINO-6-MERCAPTOPYRIDINE-3,5-DICARBONITRILE
  • 5-AMINO-1-(3,4-DICHLOROPHENYL)-1H-PYRAZOLE4-CARBONITRILE
  • 5-AMINO-1-(3-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
  • 5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
  • 5-amino-4-cyano-1-(4-fluorophenyl)pyrazole
  • 5-Amino-1-benzyl-1H-pyrazole-4-carbonitrile
  • 3-Amino-1-benzyl-1H-pyrazole-4-carbonitrile
  • 1H-Pyrazole-1-carbothioamide,5-amino-4-cyano-(9CI)

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Related Compounds

  • ethoxymethylenemalononitrile
  • N-cyclopentyl-5-(furan-2-yl)-N-(2-(3-(pyridin-4-yl)-1H-pyrazol-1-yl)ethyl)isoxazole-3-carboxamide
  • N-cyclopentyl-3-methoxy-1-methyl-N-(2-(3-(pyridin-4-yl)-1H-pyrazol-1-yl)ethyl)-1H-pyrazole-4-carboxamide
  • N-cyclopentyl-1,2-dimethyl-N-(2-(3-(pyridin-4-yl)-1H-pyrazol-1-yl)ethyl)-1H-imidazole-4-sulfonamide
  • 2-(1H-indol-1-yl)-1-(4-(3-methyl-2,2-dioxidobenzo[c][1,2,5]thiadiazol-1(3H)-yl)piperidin-1-yl)ethanone
  • 2-(4-fluorophenyl)-1-(4-(3-methyl-2,2-dioxidobenzo[c][1,2,5]thiadiazol-1(3H)-yl)piperidin-1-yl)ethanone
  • (4-(3-methyl-2,2-dioxidobenzo[c][1,2,5]thiadiazol-1(3H)-yl)piperidin-1-yl)(tetrahydrofuran-3-yl)methanone
  • (4-(3-methyl-2,2-dioxidobenzo[c][1,2,5]thiadiazol-1(3H)-yl)piperidin-1-yl)(5-(thiophen-2-yl)isoxazol-3-yl)methanone
  • 4-methyl-1-{1-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]piperidin-4-yl}-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
  • (E)-1-(1-(3-(2,5-difluorophenyl)acryloyl)piperidin-4-yl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
  • N-(5-chloro-2-methoxyphenyl)-4-[3-(2-methoxyethyl)-2,4-dioxoimidazolidin-1-yl]piperidine-1-carboxamide
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