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5417-82-3

5417-82-3 Structure

5417-82-3 Structure
IdentificationMore
[Name]

(1-ETHOXYETHYLIDENE)MALONONITRILE
[CAS]

5417-82-3
[Synonyms]

1-CYANO-2-ETHOXY-1-PROPENYL CYANIDE
(1-ETHOXYETHYLIDENE)MALONONITRILE
2-(1-ETHOXYETHYLIDENE)MALONONITRILE
(ETHOXYETHYLIDENE)METHANE-1,1-DICARBONITRILE
(1-ethoxyethylidene)-malononitril
(1-ethoxyethylidene)propanedinitrile
Propanedinitrile, (1-ethoxyethylidene)-
(1-Ethoxyethylidene)-malononitrile, 99+%
2-(1-Ethoxyethylidene)propanedinitrile
[EINECS(EC#)]

226-521-5
[Molecular Formula]

C7H8N2O
[MDL Number]

MFCD00001852
[Molecular Weight]

136.15
[MOL File]

5417-82-3.mol
Chemical PropertiesBack Directory
[Appearance]

white to beige crystalline powder and chunks
[Melting point ]

90-92 °C(lit.)
[Boiling point ]

250.42°C (rough estimate)
[density ]

1.1778 (rough estimate)
[refractive index ]

1.5769 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform, Dichloromethane
[form ]

Crystalline Powder and Chunks
[color ]

White to beige
[InChI]

InChI=1S/C7H8N2O/c1-3-10-6(2)7(4-8)5-9/h3H2,1-2H3
[InChIKey]

BOSVWXDDFBSSIZ-UHFFFAOYSA-N
[SMILES]

C(#N)/C(=C(/OCC)\C)/C#N
[CAS DataBase Reference]

5417-82-3(CAS DataBase Reference)
[EPA Substance Registry System]

Propanedinitrile, (1-ethoxyethylidene)- (5417-82-3)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
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 3439 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

TY1510000
[TSCA ]

TSCA listed
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29269090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

white to beige crystalline powder and chunks
[Uses]

Herbicide and growth regulator.
[General Description]

(1-Ethoxyethylidene)malononitrile is also referred as 2-(1-ethoxyethylidene)malononitrile.
[References]

[1] Tetrahedron, 2006, vol. 62, # 26, p. 6222 - 6227
[2] Patent: WO2009/62676, 2009, A2. Location in patent: Page/Page column 46-47
[3] Patent: WO2010/60589, 2010, A1. Location in patent: Page/Page column 28
[4] Patent: WO2004/78758, 2004, A1. Location in patent: Page 32; 63; 65; 70; 74; 79
[5] Patent: US2006/41128, 2006, A1. Location in patent: Page/Page column 13; 20
Spectrum DetailBack Directory
[Spectrum Detail]

(1-ETHOXYETHYLIDENE)MALONONITRILE(5417-82-3)1HNMR
(1-ETHOXYETHYLIDENE)MALONONITRILE(5417-82-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

(1-Ethoxyethylidene)malononitrile, 99+%(5417-82-3)
[Sigma Aldrich]

5417-82-3(sigmaaldrich)
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