1-Isopropyl-1H-benzotriazole-5-carboxylic acid

Modify Date: 2024-04-05 09:45:24

1-Isopropyl-1H-benzotriazole-5-carboxylic acid Structure
1-Isopropyl-1H-benzotriazole-5-carboxylic acid structure
Common Name 1-Isopropyl-1H-benzotriazole-5-carboxylic acid
CAS Number 306935-41-1 Molecular Weight 205.213
Density 1.4±0.1 g/cm3 Boiling Point 413.9±18.0 °C at 760 mmHg
Molecular Formula C10H11N3O2 Melting Point 229-230ºC
MSDS Chinese USA Flash Point 204.1±21.2 °C

 Use of 1-Isopropyl-1H-benzotriazole-5-carboxylic acid


GPR109 receptor agonist-1 (Compound 3a) is a highly selective agonist of the human orphan G-protein-coupled receptor GPR109b, with the pEC50 of 6.4. GPR109 receptor agonist-1 can be used for the research of cardio-metabolic diseases[1].

 Names

Name 1-propan-2-ylbenzotriazole-5-carboxylic acid
Synonym More Synonyms

  Biological Activity

Description GPR109 receptor agonist-1 (Compound 3a) is a highly selective agonist of the human orphan G-protein-coupled receptor GPR109b, with the pEC50 of 6.4. GPR109 receptor agonist-1 can be used for the research of cardio-metabolic diseases[1].
Related Catalog
Target

pEC50: 6.40 ± 0.36 (GPR109b)[1]

References

[1]. Graeme Semple, et al. 1-Alkyl-benzotriazole-5-carboxylic acids are highly selective agonists of the human orphan G-protein-coupled receptor GPR109b. J Med Chem. 2006 Feb 23;49(4):1227-30.

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 413.9±18.0 °C at 760 mmHg
Melting Point 229-230ºC
Molecular Formula C10H11N3O2
Molecular Weight 205.213
Flash Point 204.1±21.2 °C
Exact Mass 205.085129
PSA 68.01000
LogP 2.05
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.655
Storage condition Store at RT

 MSDS

Name: 1-Isopropyl-1H-1 2 3-benzotriazole-5-carboxylic acid 97% Material Safety Data Sheet
Synonym:
CAS: 306935-41-1
Section 1 - Chemical Product MSDS Name:1-Isopropyl-1H-1 2 3-benzotriazole-5-carboxylic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
306935-41-1 1-Isopropyl-1H-1,2,3-benzotriazole-5-c 97% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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. 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.
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:
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# 306935-41-1: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 229 - 230 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: C10H11N3O2
Molecular Weight: 205

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, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 306935-41-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Isopropyl-1H-1,2,3-benzotriazole-5-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
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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 306935-41-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 306935-41-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 306935-41-1 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
Risk Phrases 36/37/38
Safety Phrases 26-36/37/39
HS Code 2933990090

 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-Isopropyl-1H-benzotriazole-5-carb; oxylic acid
MFCD01570664
1H-1,2,3-Benzotriazole-5-carboxylic acid, 1-(1-methylethyl)-
1-(propan-2-yl)-1H-benzotriazole-5-carboxylic acid
1-ISOPROPYL-1H-1,2,3-BENZOTRIAZOLE-5-CARBOXYLIC ACID
1-Isopropyl-1H-benzotriazole-5-carboxylic acid
1-Isopropylbenzotriazole-5-carboxylic acid
FSLLRY-NH2
1-Isopropyl-1,2,3-benzotriazole-5-carboxylic acid
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