2-Propen-1-one,1-(1H-imidazol-1-yl)-3-phenyl-, (2E)-

Modify Date: 2024-01-08 19:06:06

2-Propen-1-one,1-(1H-imidazol-1-yl)-3-phenyl-, (2E)- Structure
2-Propen-1-one,1-(1H-imidazol-1-yl)-3-phenyl-, (2E)- structure
Common Name 2-Propen-1-one,1-(1H-imidazol-1-yl)-3-phenyl-, (2E)-
CAS Number 1138-15-4 Molecular Weight 198.22100
Density 1.09g/cm3 Boiling Point 391.8ºC at 760mmHg
Molecular Formula C12H10N2O Melting Point 127-133ºC
MSDS N/A Flash Point 190.7ºC

 Names

Name n-trans-cinnamoylimidazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.09g/cm3
Boiling Point 391.8ºC at 760mmHg
Melting Point 127-133ºC
Molecular Formula C12H10N2O
Molecular Weight 198.22100
Flash Point 190.7ºC
Exact Mass 198.07900
PSA 34.89000
LogP 2.23670
Vapour Pressure 2.41E-06mmHg at 25°C
Index of Refraction 1.582

 MSDS

Name: N-trans-Cinnamoylimidazole 97% Material Safety Data Sheet
Synonym:
CAS: 1138-15-4
Section 1 - Chemical Product MSDS Name:N-trans-Cinnamoylimidazole 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1138-15-4 N-trans-Cinnamoylimidazole 97% 214-510-8
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Light sensitive.Moisture sensitive.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.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. 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:

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. Use agent most appropriate to extinguish fire. Do NOT get water inside containers.

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. Do not get water inside containers.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Store protected from light. Do not allow contact with water. Keep from contact with moist air and steam.
Storage:
Do not store in direct sunlight. Store in a tightly closed container. Keep refrigerated. (Store below 4C/39F.) Store protected from moisture. Store protected from light. Store under nitrogen.

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# 1138-15-4: 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: Powder
Color: light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 133-135 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: C12H10N2O
Molecular Weight: 198.0828

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions. Moisture sensitive. Light sensitive.
Conditions to Avoid:
Incompatible materials, light, dust generation, exposure to moist air or water.
Incompatibilities with Other Materials:
Moisture, oxidizing agents, strong acids.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1138-15-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-trans-Cinnamoylimidazole - 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: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 1138-15-4: No information available.
Canada
CAS# 1138-15-4 is listed on Canada's NDSL List.
CAS# 1138-15-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1138-15-4 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Risk Phrases R36/37/38
Safety Phrases S24/25
HS Code 2933290090

 Synthetic Route

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2-Propen-1-one,1-(1H-imidazol-1-yl)-3-phenyl-, (2E)- Structure

2-Propen-1-one,...

CAS#:1138-15-4

Literature: Chemical Communications, , vol. 48, # 43 p. 5352 - 5354

~%

2-Propen-1-one,1-(1H-imidazol-1-yl)-3-phenyl-, (2E)- Structure

2-Propen-1-one,...

CAS#:1138-15-4

Literature: Journal of the American Chemical Society, , vol. 123, # 38 p. 9474 - 9475

~%

2-Propen-1-one,1-(1H-imidazol-1-yl)-3-phenyl-, (2E)- Structure

2-Propen-1-one,...

CAS#:1138-15-4

Literature: Journal of Organic Chemistry, , vol. 50, # 9 p. 1552 - 1554

~%

2-Propen-1-one,1-(1H-imidazol-1-yl)-3-phenyl-, (2E)- Structure

2-Propen-1-one,...

CAS#:1138-15-4

Literature: Zeitschrift fuer Physikalische Chemie (Muenchen, Germany), , vol. 120, p. 9 - 18

 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

N-TRANS-CINNAMOYLIMIDAZOL
1-(TRANS-CINNAMOYL)IMIDAZOLE
1-[(E)-Cinnamoyl]-1H-imidazole
1-(3-phenyl-acryloyl)-1H-imidazole
1-[(E)-1-Oxo-3-phenyl-2-propenyl]-1H-imidazole
1-TRANS-CINNAMOYLIMIDAZOLE
1-Cinnamoyl-1H-imidazole
N-trans-Cinnamoyl imidazole,GC
(e)-1h-imidazol
cinnamic acid imidazolide
EINECS 214-510-8
(2E)-1-imidazolyl-3-phenylprop-2-en-1-one
MFCD00005288
CINNAMOYLIMIDAZOLE
N-trans-Cinnamoylimidazole
1-trans-Cinnamoyl-1H-imidazole
N-TRANS-CINNAMOYL IMIDAZOLE