1-BENZYL-5-METHYL-1H-[1,2,3]TRIAZOLE-4-CARBOXYLIC ACID

Modify Date: 2024-04-03 17:39:55

1-BENZYL-5-METHYL-1H-[1,2,3]TRIAZOLE-4-CARBOXYLIC ACID Structure
1-BENZYL-5-METHYL-1H-[1,2,3]TRIAZOLE-4-CARBOXYLIC ACID structure
Common Name 1-BENZYL-5-METHYL-1H-[1,2,3]TRIAZOLE-4-CARBOXYLIC ACID
CAS Number 54698-60-1 Molecular Weight 217.22400
Density 1.3 g/cm3 Boiling Point 455ºC at 760 mmHg
Molecular Formula C11H11N3O2 Melting Point 170ºC
MSDS N/A Flash Point 228.9ºC

 Names

Name 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3 g/cm3
Boiling Point 455ºC at 760 mmHg
Melting Point 170ºC
Molecular Formula C11H11N3O2
Molecular Weight 217.22400
Flash Point 228.9ºC
Exact Mass 217.08500
PSA 68.01000
LogP 1.33300
Index of Refraction 1.636

 MSDS

Name: 1-Benzyl-5-methyl-1H-[1 2 3-]triazole-4-carboxylic acid Material Safety Data Sheet
Synonym:
CAS: 54698-60-1
Section 1 - Chemical Product MSDS Name:1-Benzyl-5-methyl-1H-[1 2 3-]triazole-4-carboxylic acid Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
54698-60-1 1-Benzyl-5-methyl-1H-[1,2,3-]triazole- 97+% unlisted
Hazard Symbols: F
Risk Phrases: 11 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Highly flammable. Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
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. 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. Exposure to heat may promote violent decomposition.
Flammable solid.
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:
Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Keep away from sources of ignition. Store in a cool, dry place.
Store in a tightly closed container. Flammables-area.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 54698-60-1: 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: 169 - 170 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: C11H11N3O2
Molecular Weight: 217.23

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
High temperatures, incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases, amines.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 54698-60-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Benzyl-5-methyl-1H-[1,2,3-]triazole-4-carboxylic acid - 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: FLAMMABLE SOLID, TOXIC, ORGANIC, N.O.S.*
Hazard Class: 4.1 (6.1)
UN Number: 2926
Packing Group: III
IMO
Shipping Name: FLAMMABLE SOLID, TOXIC, ORGANIC, N.O.S.
Hazard Class: 4.1 (6.1)
UN Number: 2926
Packing Group: III
RID/ADR
Shipping Name: FLAMMABLE SOLID, TOXIC, ORGANIC, N.O.S.
Hazard Class: 4.1 (6.1)
UN Number: 2926
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: F
Risk Phrases:
R 11 Highly flammable.
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 16 Keep away from sources of ignition - No
smoking.
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# 54698-60-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 54698-60-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 54698-60-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

HS Code 2933990090

 Synthetic Route

~68%

1-BENZYL-5-METHYL-1H-[1,2,3]TRIAZOLE-4-CARBOXYLIC ACID Structure

1-BENZYL-5-METH...

CAS#:54698-60-1

Literature: Zheng, Hongchao; McDonald, Robert; Hall, Dennis G. Chemistry - A European Journal, 2010 , vol. 16, # 18 p. 5454 - 5460

~%

1-BENZYL-5-METHYL-1H-[1,2,3]TRIAZOLE-4-CARBOXYLIC ACID Structure

1-BENZYL-5-METH...

CAS#:54698-60-1

Literature: European journal of medicinal chemistry, , vol. 38, # 11-12 p. 983 - 990

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

1-benzyl-5-methyltriazole-4-carboxylic acid