3-(1h-1,2,4-triazol-1-yl)propanoic acid

Modify Date: 2024-01-03 10:48:30

3-(1h-1,2,4-triazol-1-yl)propanoic acid Structure
3-(1h-1,2,4-triazol-1-yl)propanoic acid structure
Common Name 3-(1h-1,2,4-triazol-1-yl)propanoic acid
CAS Number 76686-84-5 Molecular Weight 141.12800
Density 1.42g/cm3 Boiling Point 375.9ºC at 760 mmHg
Molecular Formula C5H7N3O2 Melting Point N/A
MSDS N/A Flash Point 181.1ºC

 Names

Name 3-(1,2,4-triazol-1-yl)propanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.42g/cm3
Boiling Point 375.9ºC at 760 mmHg
Molecular Formula C5H7N3O2
Molecular Weight 141.12800
Flash Point 181.1ºC
Exact Mass 141.05400
PSA 68.01000
Index of Refraction 1.619
Storage condition -20°C

 MSDS

Name: 3-[1H-(1 2 4-Triazolyl)]-Propanoic Acid Material Safety Data Sheet
Synonym: None known
CAS: 76686-84-5
Section 1 - Chemical Product MSDS Name:3-[1H-(1 2 4-Triazolyl)]-Propanoic Acid Material Safety Data Sheet
Synonym:None known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
76686-84-5 3-[1H-(1,2,4-Triazoyl)]-Propanoic Acid ca 199 unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
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.
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 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:
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:
Wash thoroughly after handling. 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# 76686-84-5: 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:
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 a respirator's use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 175-177C
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: C5H7N3O2
Molecular Weight: 141.0679

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
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# 76686-84-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-[1H-(1,2,4-Triazoyl)]-Propanoic Acid - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.

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 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# 76686-84-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 76686-84-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 76686-84-5 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 C: Corrosive;Xi: Irritant;
HS Code 2933990090

 Synthetic Route

~74%

3-(1h-1,2,4-triazol-1-yl)propanoic acid Structure

3-(1h-1,2,4-tri...

CAS#:76686-84-5

Literature: Timokhin; Golubin; Vysotskaya; Kron; Oparina; Gusarova; Trofimov Chemistry of Heterocyclic Compounds, 2002 , vol. 38, # 8 p. 981 - 985

 Precursor & DownStream

Precursor  2

DownStream  0

 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

1H-1,2,4-triazole-1-propionic acid
1H-1,2,4-Triazole-1-propanoic acid
3-(1,2,4-triazolyl)propanoic acid
MFCD02932735
3-(1H-1,2,4-Triazol-1-yl)propanoic acid
3-[1,2,4]triazol-1-yl-propionic acid
3-(1h-1,2,4-triazol-1-yl)propionic acid
1,2,4-Triazole-1-propionic acid
1-(1H-1,2,4-triazol-1-yl)propanoic acid
3-[1,2,4]Triazol-1-yl-propionsaeure
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