2-(1-Ethoxyethylidene)malononitrile

Modify Date: 2024-01-05 17:17:08

2-(1-Ethoxyethylidene)malononitrile Structure
2-(1-Ethoxyethylidene)malononitrile structure
Common Name 2-(1-Ethoxyethylidene)malononitrile
CAS Number 5417-82-3 Molecular Weight 136.151
Density 1.0±0.1 g/cm3 Boiling Point 312.6±22.0 °C at 760 mmHg
Molecular Formula C7H8N2O Melting Point 90-92 °C(lit.)
MSDS Chinese USA Flash Point 137.1±15.2 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name (1-Ethoxyethylidene)malononitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 312.6±22.0 °C at 760 mmHg
Melting Point 90-92 °C(lit.)
Molecular Formula C7H8N2O
Molecular Weight 136.151
Flash Point 137.1±15.2 °C
Exact Mass 136.063660
PSA 56.81000
LogP 0.87
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.461

 MSDS

Name: (1-Ethoxyethylidene)-Malononitrile 99+% Material Safety Data Sheet
Synonym: (1-Ethoxyethylidene)propanedinitrile
CAS: 5417-82-3
Section 1 - Chemical Product MSDS Name:(1-Ethoxyethylidene)-Malononitrile 99+% Material Safety Data Sheet
Synonym:(1-Ethoxyethylidene)propanedinitrile

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
5417-82-3 (1-Ethoxyethylidene)malononitrile 99+ 226-521-5
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Metabolism may release cyanide, which may result in headache, dizziness, weakness, collapse, unconsciousness and possible death.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be metabolized to cyanide which in turns act by inhibiting cytochrome oxidase impairing cellular respiration.
Chronic:
May be metabolized to cyanide which in turn acts by inhibiting cytochrome oxidase impairing cellular respiration.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
May be partially metabolized to cyanide in the body.
Antidote: Always have a cyanide antidote kit on hand when working with cyanide compounds. Get medical advice to use.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 5417-82-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: beige
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 90.00 - 92.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H8N2O
Molecular Weight: 136.15

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5417-82-3: TY1510000 LD50/LC50:
Not available.
Carcinogenicity:
(1-Ethoxyethylidene)malononitrile - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 5417-82-3: No information available.
Canada
CAS# 5417-82-3 is listed on Canada's NDSL List.
CAS# 5417-82-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5417-82-3 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TY1510000
CHEMICAL NAME :
Propanedinitrile, (1-ethoxyethylidene)-
CAS REGISTRY NUMBER :
5417-82-3
BEILSTEIN REFERENCE NO. :
0906913
LAST UPDATED :
199710
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C7-H8-N2-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
312 mg/kg
TOXIC EFFECTS :
Gastrointestinal - ulceration or bleeding from stomach Liver - hepatitis, fibrous (cirrhosis, post-necrotic scarring) Blood - changes in spleen
REFERENCE :
EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0487-0663 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6425 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 28 (estimated)

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302 + H312 + H332-H315-H319-H335
Precautionary Statements P261-P280-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S28-S36/37/39-S45
RIDADR UN 3439 6.1/PG 3
WGK Germany 3
RTECS TY1510000
Packaging Group III
Hazard Class 6.1(b)
HS Code 2926909090

 Synthetic Route

~99%

2-(1-Ethoxyethylidene)malononitrile Structure

2-(1-Ethoxyethy...

CAS#:5417-82-3

Literature: ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC.; ADDEX PHARMA S.A.; CID-NUNEZ, Jose, Maria; TRABANCO-SUAREZ, Andres, Avelino; MACDONALD, Gregor, James Patent: WO2010/60589 A1, 2010 ; Location in patent: Page/Page column 28 ; WO 2010/060589 A1

 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%

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 Synonyms

2-(1-ethoxyethylidene)propanedinitrile
2-(1-ethoxyethylidene)-Propanedinitrile
(1-Ethoxyethylidene)malononitrile
ethoxyethylidene malononitrile
Propanedinitrile, 2-(1-ethoxyethylidene)-
MFCD00001852
2-(1-Ethoxy-ethylidene)-malononitri; le
EINECS 226-521-5