1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID structure
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Common Name | 1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID | ||
|---|---|---|---|---|
| CAS Number | 13368-86-0 | Molecular Weight | 130.12500 | |
| Density | 1.67g/cm3 | Boiling Point | 292.8ºC at 760 mmHg | |
| Molecular Formula | C3H2N2O2S | Melting Point | 89ºC | |
| MSDS | N/A | Flash Point | 130.9ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1,2,5-thiadiazole-3-carboxylic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.67g/cm3 |
|---|---|
| Boiling Point | 292.8ºC at 760 mmHg |
| Melting Point | 89ºC |
| Molecular Formula | C3H2N2O2S |
| Molecular Weight | 130.12500 |
| Flash Point | 130.9ºC |
| Exact Mass | 129.98400 |
| PSA | 91.32000 |
| LogP | 0.23630 |
| Vapour Pressure | 0.000817mmHg at 25°C |
| Index of Refraction | 1.631 |
| InChIKey | GFTBMBHVZZFGCK-UHFFFAOYSA-N |
| SMILES | O=C(O)c1cnsn1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
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# 13368-86-0: 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: 89 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: C3H2N2O2S Molecular Weight: 130.13 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 13368-86-0 unlisted. LD50/LC50: Not available. Carcinogenicity: 1,2,5-Thiadiazole-3-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# 13368-86-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 13368-86-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 13368-86-0 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi:Irritant; |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S37/39 |
| HS Code | 2934999090 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Agonist activity at human cloned GPR109a receptor up to 30 uM by forskolin-stimulated...
Source: ChEMBL
Target: Hydroxycarboxylic acid receptor 2
External Id: CHEMBL924063
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| thiadiazole carboxylic acid |
| 2,1,3-Thiadiazol-carbonsaeure-(4) |
| [1,2,5]thiadiazole-3-carboxylic acid |
| 1,2,5-thiadiazol-3-carboxylic acid |
| 1,2,5-Thiadiazol-3-carbonsaeure |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the safety information for 1,2,5-thiadiazole-3-carboxylic acid? |
| A: Safety information for 1,2,5-thiadiazole-3-carboxylic acid: S26-S37/39. |
| Q: What English synonyms does 1,2,5-thiadiazole-3-carboxylic acid have? |
| A: English synonyms of 1,2,5-thiadiazole-3-carboxylic acid: thiadiazole carboxylic acid, 2,1,3-Thiadiazol-carbonsaeure-(4), [1,2,5]thiadiazole-3-carboxylic acid, 1,2,5-thiadiazol-3-carboxylic acid, 1,2,5-Thiadiazol-3-carbonsaeure. |
| Q: What is the polar surface area (PSA) of 1,2,5-thiadiazole-3-carboxylic acid? |
| A: Polar surface area (PSA) of 1,2,5-thiadiazole-3-carboxylic acid is 91.32000. |
| Q: What is the molecular formula of 1,2,5-thiadiazole-3-carboxylic acid? |
| A: Molecular formula of 1,2,5-thiadiazole-3-carboxylic acid is C3H2N2O2S. |
| Q: What is the InChIKey of 1,2,5-thiadiazole-3-carboxylic acid? |
| A: InChIKey of 1,2,5-thiadiazole-3-carboxylic acid is GFTBMBHVZZFGCK-UHFFFAOYSA-N. |
| Q: What is the melting point of 1,2,5-thiadiazole-3-carboxylic acid? |
| A: Melting point of 1,2,5-thiadiazole-3-carboxylic acid is 89ºC. |
| Q: What is the SMILES notation of 1,2,5-thiadiazole-3-carboxylic acid? |
| A: SMILES notation of 1,2,5-thiadiazole-3-carboxylic acid is O=C(O)c1cnsn1. |
| Q: What is the molecular weight of 1,2,5-thiadiazole-3-carboxylic acid? |
| A: Molecular weight of 1,2,5-thiadiazole-3-carboxylic acid is 130.12500. |
| Q: What is the LogP of 1,2,5-thiadiazole-3-carboxylic acid? |
| A: LogP of 1,2,5-thiadiazole-3-carboxylic acid is 0.23630. |
| Q: What is the English name of 1,2,5-thiadiazole-3-carboxylic acid? |
| A: The English name of 1,2,5-thiadiazole-3-carboxylic acid is 1,2,5-thiadiazole-3-carboxylic acid. |
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. |