3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid structure
|
Common Name | 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid | ||
|---|---|---|---|---|
| CAS Number | 13610-59-8 | Molecular Weight | 207.18300 | |
| Density | 1.42g/cm3 | Boiling Point | 403ºC at 760mmHg | |
| Molecular Formula | C10H9NO4 | Melting Point | 124-126ºC | |
| MSDS | N/A | Flash Point | 197.5ºC | |
Summary: 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid, Chinese name is 3-(2-氧-2,3-二氢-1,3-苯并恶唑-3-基)丙酸, CAS number is 13610-59-8, molecular formula is C10H9NO4. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic 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 | 1.42g/cm3 |
|---|---|
| Boiling Point | 403ºC at 760mmHg |
| Melting Point | 124-126ºC |
| Molecular Formula | C10H9NO4 |
| Molecular Weight | 207.18300 |
| Flash Point | 197.5ºC |
| Exact Mass | 207.05300 |
| PSA | 72.44000 |
| LogP | 1.06920 |
| Vapour Pressure | 3.22E-07mmHg at 25°C |
| InChIKey | BMLRDVCKJXMASM-UHFFFAOYSA-N |
| SMILES | O=C(O)CCn1c(=O)oc2ccccc21 |
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# 13610-59-8: 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: white crystalline solid Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 124 - 126 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: C10H9NO4 Molecular Weight: 207 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: 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# 13610-59-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic 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# 13610-59-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 13610-59-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 13610-59-8 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 | 26-37/39 |
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~%
3-(2-oxo-2,3-di... CAS#:13610-59-8 |
| Literature: Journal fuer Praktische Chemie (Leipzig), , vol. 33, p. 130 - 138 |
|
~%
3-(2-oxo-2,3-di... CAS#:13610-59-8 |
| Literature: Chimica Therapeutica, , vol. 2, p. 343 - 346 |
|
~%
3-(2-oxo-2,3-di... CAS#:13610-59-8 |
| Literature: Journal fuer Praktische Chemie (Leipzig), , vol. 33, p. 130 - 138 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 2 | |
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.
|
Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
|
|
Name: Screen for inhibitors of RMI FANCM (MM2) intereaction
Source: 11908
Target: N/A
External Id: RMI-FANCM-MM2
|
|
Name: Inhibitors of CDC25B-CDK2/CyclinA interaction
Source: Center for Chemical Genomics, University of Michigan
External Id: MScreen:TargetID_600
|
|
Name: Binding affinity to N-terminal Avitag-fused His6-tagged USP5 ZnF-UBD (unknown origin)...
Source: ChEMBL
Target: Ubiquitin carboxyl-terminal hydrolase 5
External Id: CHEMBL4416736
|
|
Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
|
|
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
|
|
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
|
|
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00052166 |
| iflab-bb f1546-0001 |
| rarechem al bo 0520 |
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 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid? |
| A: Related upstream materials(CAS) of 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid: 59-49-4;13610-55-4;13610-67-8. |
| Q: What English synonyms does 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid have? |
| A: English synonyms of 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid: MFCD00052166, iflab-bb f1546-0001, rarechem al bo 0520. |
| Q: What are the downstream products of 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid? |
| A: Related downstream products(CAS) of 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid: 13610-66-7;17124-57-1. |
| Q: What is the boiling point of 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid? |
| A: Boiling point of 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid is 403ºC at 760mmHg. |
| Q: What is the safety information for 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid? |
| A: Safety information for 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid: 26-37/39. |
| Q: What is the molecular formula of 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid? |
| A: Molecular formula of 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid is C10H9NO4. |
| Q: What is the melting point of 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid? |
| A: Melting point of 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid is 124-126ºC. |
| Q: What is the LogP of 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid? |
| A: LogP of 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid is 1.06920. |
| Q: What is the English name of 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid? |
| A: The English name of 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid is 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid. |
| Q: What is the molecular weight of 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid? |
| A: Molecular weight of 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid is 207.18300. |
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. |