3-benzyl-2-methylsulfanylimidazole-4-carbaldehyde

Modify Date: 2024-09-19 11:05:26

3-benzyl-2-methylsulfanylimidazole-4-carbaldehyde Structure
3-benzyl-2-methylsulfanylimidazole-4-carbaldehyde structure
Common Name 3-benzyl-2-methylsulfanylimidazole-4-carbaldehyde
CAS Number 479400-30-1 Molecular Weight 232.30100
Density 1.19g/cm3 Boiling Point 446.2ºC at 760 mmHg
Molecular Formula C12H12N2OS Melting Point 86ºC
MSDS USA Flash Point 223.7ºC

 Names

Name 3-benzyl-2-methylsulfanylimidazole-4-carbaldehyde
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.19g/cm3
Boiling Point 446.2ºC at 760 mmHg
Melting Point 86ºC
Molecular Formula C12H12N2OS
Molecular Weight 232.30100
Flash Point 223.7ºC
Exact Mass 232.06700
PSA 60.19000
LogP 2.46580
Index of Refraction 1.616

 MSDS

Name: 1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbaldehyde Material Safety Data Sheet
Synonym:
CAS: 479400-30-1
Section 1 - Chemical Product MSDS Name:1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbaldehyde Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
479400-30-1 1-Benzyl-2-(methylsulfanyl)-1H-imidazo unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
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.
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.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 479400-30-1: Personal Protective Equipment Eyes: Not available.
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: Not available.
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: C12H12N2OS
Molecular Weight: 232.3

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 479400-30-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbaldehyde - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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# 479400-30-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 479400-30-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 479400-30-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Synthetic Route

~93%

3-benzyl-2-methylsulfanylimidazole-4-carbaldehyde Structure

3-benzyl-2-meth...

CAS#:479400-30-1

Literature: Hadizadeh; Tafti Journal of Heterocyclic Chemistry, 2002 , vol. 39, # 4 p. 841 - 844

~%

3-benzyl-2-methylsulfanylimidazole-4-carbaldehyde Structure

3-benzyl-2-meth...

CAS#:479400-30-1

Literature: Hadizadeh; Shafiee; Kazemi; Mohammadi Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002 , vol. 41, # 12 p. 2679 - 2682

~%

3-benzyl-2-methylsulfanylimidazole-4-carbaldehyde Structure

3-benzyl-2-meth...

CAS#:479400-30-1

Literature: Hadizadeh; Tafti Journal of Heterocyclic Chemistry, 2002 , vol. 39, # 4 p. 841 - 844

 Synonyms

2-methylthio-5-formyl-1-phenylmethylimidazole
1-benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbaldehyde
2-methylsulfanyl-1-benzyl-5-formylimidazole
1-benzyl-2-methylthio-1H-imidazole-5-carbaldehyde
1-benzyl-2-(methylsulfanyl)imidazole-5-carbaldehyde