1-Methyl-1H-imidazole-4-carbonitrile

Modify Date: 2024-01-01 22:03:19

1-Methyl-1H-imidazole-4-carbonitrile Structure
1-Methyl-1H-imidazole-4-carbonitrile structure
Common Name 1-Methyl-1H-imidazole-4-carbonitrile
CAS Number 66121-69-5 Molecular Weight 107.113
Density 1.1±0.1 g/cm3 Boiling Point 314.1±15.0 °C at 760 mmHg
Molecular Formula C5H5N3 Melting Point 76ºC
MSDS N/A Flash Point 143.8±20.4 °C

 Names

Name 1-Methyl-1H-imidazole-4-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 314.1±15.0 °C at 760 mmHg
Melting Point 76ºC
Molecular Formula C5H5N3
Molecular Weight 107.113
Flash Point 143.8±20.4 °C
Exact Mass 107.048347
PSA 41.61000
LogP -0.07
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.579

 MSDS

Name: 1-Methyl-1H-imidazole-4-carbonitrile Material Safety Data Sheet
Synonym: None Known
CAS: 66121-69-5
Section 1 - Chemical Product MSDS Name:1-Methyl-1H-imidazole-4-carbonitrile Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
66121-69-5 1-Methyl-1H-imidazole-4-carbonitrile 97+% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. Harmful if absorbed through the skin. May be metabolized to cyanide which in turn acts by inhibiting cytochrome oxidase impairing cellular respiration.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Metabolism may release cyanide, which may result in headache, dizziness, weakness, collapse, unconsciousness and possible death.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation. May be metabolized to cyanide which in turns act by inhibiting cytochrome oxidase impairing cellular respiration.
Chronic:
Exposure to small amounts of cyanide compounds over long periods of time is reported to cause loss of appetite, headache, weakness, nausea, dizziness, and symptoms of irritation of the upper respiratory tract and eyes.

Section 4 - FIRST AID MEASURES
Eyes: Immediately 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. Wash mouth out with 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.
Notes to Physician:
Treat symptomatically and supportively.

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 water spray, dry chemical, carbon dioxide, or chemical foam.

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

Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 66121-69-5: 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:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 64 - 66 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C5H5N3
Molecular Weight: 107.12

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen cyanide, carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 66121-69-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Methyl-1H-imidazole-4-carbonitrile - Not listed by ACGIH, IARC, or NTP.

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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 66121-69-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 66121-69-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 66121-69-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi
HS Code 2933290090

 Synthetic Route

~%

1-Methyl-1H-imidazole-4-carbonitrile Structure

1-Methyl-1H-imi...

CAS#:66121-69-5

Literature: WO2009/70485 A1, ; Page/Page column 117 ; WO 2009/070485 A1

~70%

1-Methyl-1H-imidazole-4-carbonitrile Structure

1-Methyl-1H-imi...

CAS#:66121-69-5

Literature: Subrayan, Ramachandran P.; Thurber, Ernest L.; Rasmussen, Paul G. Tetrahedron, 1994 , vol. 50, # 9 p. 2641 - 2656

~39%

1-Methyl-1H-imidazole-4-carbonitrile Structure

1-Methyl-1H-imi...

CAS#:66121-69-5

Literature: Wakamatsu, Shigeru; Barltrop, John A.; Day, A. Colin Chemistry Letters, 1982 , p. 667 - 670

~%

1-Methyl-1H-imidazole-4-carbonitrile Structure

1-Methyl-1H-imi...

CAS#:66121-69-5

Literature: Tetrahedron, , vol. 50, # 9 p. 2641 - 2656

~25%

1-Methyl-1H-imidazole-4-carbonitrile Structure

1-Methyl-1H-imi...

CAS#:66121-69-5

Literature: Journal of the Chemical Society, Chemical Communications, , # 12 p. 604 - 606

~7%

1-Methyl-1H-imidazole-4-carbonitrile Structure

1-Methyl-1H-imi...

CAS#:66121-69-5

Detail
Literature: Bulletin of the Chemical Society of Japan, , vol. 60, # 10 p. 3693 - 3696

~37%

1-Methyl-1H-imidazole-4-carbonitrile Structure

1-Methyl-1H-imi...

CAS#:66121-69-5

Literature: Chemistry Letters, , p. 667 - 670

~10%

1-Methyl-1H-imidazole-4-carbonitrile Structure

1-Methyl-1H-imi...

CAS#:66121-69-5

Literature: Journal of the Chemical Society, Chemical Communications, , # 12 p. 604 - 606

~%

1-Methyl-1H-imidazole-4-carbonitrile Structure

1-Methyl-1H-imi...

CAS#:66121-69-5

Literature: Journal of Heterocyclic Chemistry, , vol. 44, # 6 p. 1445 - 1451

 Customs

HS Code 2933290090
Summary 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

1-Methyl-1H-imidazole-4-carbonitrile
1H-Imidazole-4-carbonitrile, 1-methyl-
1-methylimidazole-4-carbonitrile