1-Methyl-1H-1,2,3-benzotriazole-5-carboxylic acid

Modify Date: 2026-07-01 10:27:59

1-Methyl-1H-1,2,3-benzotriazole-5-carboxylic acid Structure
1-Methyl-1H-1,2,3-benzotriazole-5-carboxylic acid structure
Common Name 1-Methyl-1H-1,2,3-benzotriazole-5-carboxylic acid
CAS Number 305381-67-3 Molecular Weight 177.16000
Density 1.49g/cm3 Boiling Point 432.4ºC at 760mmHg
Molecular Formula C8H7N3O2 Melting Point 250ºC
MSDS N/A Flash Point 215.3ºC

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 1-methylbenzotriazole-5-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.49g/cm3
Boiling Point 432.4ºC at 760mmHg
Melting Point 250ºC
Molecular Formula C8H7N3O2
Molecular Weight 177.16000
Flash Point 215.3ºC
Exact Mass 177.05400
PSA 68.01000
LogP 0.66650
Index of Refraction 1.704
InChIKey SGHWYTLJLHVIBQ-UHFFFAOYSA-N
SMILES Cn1nnc2cc(C(=O)O)ccc21

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Name: 1-Methyl-1h-1 2 3-benzotriazole-5-carboxylic acid 97% Material Safety Data Sheet
Synonym:
CAS: 305381-67-3
Section 1 - Chemical Product MSDS Name:1-Methyl-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#
305381-67-3 1-Methyl-1H-1,2,3-benzotriazole-5-carb 97% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
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:
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# 305381-67-3: 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: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 269 - 272 deg C(decom)
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: C8H7N3O2
Molecular Weight: 177.16

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 305381-67-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Methyl-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: XN
Risk Phrases:
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 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# 305381-67-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 305381-67-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 305381-67-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22;R36/37/38
HS Code 2933990090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

~79%

1-Methyl-1H-1,2,3-benzotriazole-5-carboxylic acid Structure

1-Methyl-1H-1,2...

CAS#:305381-67-3

Learn More
Literature: BIOENERGENIX Patent: US2012/277224 A1, 2012 ; Location in patent: Page/Page column 41 ; US 20120277224 A1

~%

1-Methyl-1H-1,2,3-benzotriazole-5-carboxylic acid Structure

1-Methyl-1H-1,2...

CAS#:305381-67-3

Learn More
Literature: US2012/277224 A1, ; US 20120277224 A1

~%

1-Methyl-1H-1,2,3-benzotriazole-5-carboxylic acid Structure

1-Methyl-1H-1,2...

CAS#:305381-67-3

Learn More
Literature: US2012/277224 A1, ; US 20120277224 A1

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  3

DownStream  0

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

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%

 Bioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Activity against GPR109a upto 100 uM
Source: ChEMBL
Target: Hydroxycarboxylic acid receptor 2
External Id: CHEMBL862255
Name: Agonistic activity at GPR109b by cAMP whole cell assay
Source: ChEMBL
Target: Hydroxycarboxylic acid receptor 3
External Id: CHEMBL859107
Total 2, Current Page 1 of 1
1

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

1-methyl-1H-1,2,3-benzotriazole-5-carboxylic acid
1-Methyl-1H-benzotriazol-5-carbonsaeure
1-methyl-1H-benzo[d][1,2,3]triazole-5-carboxylic acid
1-methyl-1H-benzotriazole-5-carboxylic acid

  | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the upstream materials of 1-methylbenzotriazole-5-carboxylic acid?
A: Related upstream materials(CAS) of 1-methylbenzotriazole-5-carboxylic acid: 66315-15-9;453-71-4;41263-74-5.
Q: What is the molecular weight of 1-methylbenzotriazole-5-carboxylic acid?
A: Molecular weight of 1-methylbenzotriazole-5-carboxylic acid is 177.16000.
Q: What is the polar surface area (PSA) of 1-methylbenzotriazole-5-carboxylic acid?
A: Polar surface area (PSA) of 1-methylbenzotriazole-5-carboxylic acid is 68.01000.
Q: What is the InChIKey of 1-methylbenzotriazole-5-carboxylic acid?
A: InChIKey of 1-methylbenzotriazole-5-carboxylic acid is SGHWYTLJLHVIBQ-UHFFFAOYSA-N.
Q: What is the SMILES notation of 1-methylbenzotriazole-5-carboxylic acid?
A: SMILES notation of 1-methylbenzotriazole-5-carboxylic acid is Cn1nnc2cc(C(=O)O)ccc21.
Q: What is the melting point of 1-methylbenzotriazole-5-carboxylic acid?
A: Melting point of 1-methylbenzotriazole-5-carboxylic acid is 250ºC.
Q: What is the CAS number of 1-methylbenzotriazole-5-carboxylic acid?
A: CAS number of 1-methylbenzotriazole-5-carboxylic acid is 305381-67-3.
Q: What is the molecular formula of 1-methylbenzotriazole-5-carboxylic acid?
A: Molecular formula of 1-methylbenzotriazole-5-carboxylic acid is C8H7N3O2.
Q: What is the boiling point of 1-methylbenzotriazole-5-carboxylic acid?
A: Boiling point of 1-methylbenzotriazole-5-carboxylic acid is 432.4ºC at 760mmHg.
Q: What English synonyms does 1-methylbenzotriazole-5-carboxylic acid have?
A: English synonyms of 1-methylbenzotriazole-5-carboxylic acid: 1-methyl-1H-1,2,3-benzotriazole-5-carboxylic acid, 1-Methyl-1H-benzotriazol-5-carbonsaeure, 1-methyl-1H-benzo[d][1,2,3]triazole-5-carboxylic acid, 1-methyl-1H-benzotriazole-5-carboxylic acid.

 factory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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