Ethyl 3,5-Dimethylpyrazole-4-carboxylate structure
|
Common Name | Ethyl 3,5-Dimethylpyrazole-4-carboxylate | ||
---|---|---|---|---|
CAS Number | 35691-93-1 | Molecular Weight | 168.19300 | |
Density | 1.136g/cm3 | Boiling Point | 284.8ºC at 760mmHg | |
Molecular Formula | C8H12N2O2 | Melting Point | 66ºC | |
MSDS | USA | Flash Point | 126ºC |
Name | Ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate |
---|---|
Synonym | More Synonyms |
Density | 1.136g/cm3 |
---|---|
Boiling Point | 284.8ºC at 760mmHg |
Melting Point | 66ºC |
Molecular Formula | C8H12N2O2 |
Molecular Weight | 168.19300 |
Flash Point | 126ºC |
Exact Mass | 168.09000 |
PSA | 54.98000 |
LogP | 1.20320 |
Index of Refraction | 1.518 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: 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: 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 35691-93-1: 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: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 95 - 96 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: C8H12N2O2 Molecular Weight: 168.2 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. 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# 35691-93-1: UQ6394800 LD50/LC50: Not available. Carcinogenicity: Ethyl 3,5-dimethyl-1H-4-pyrazolecarboxylate - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 22 Harmful if swallowed. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 22 Do not breathe dust. 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# 35691-93-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 35691-93-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 35691-93-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
HS Code | 2933199090 |
---|
~67% Ethyl 3,5-Dimet... CAS#:35691-93-1 |
Literature: H. LUNDBECK A/S; ESKILDSEN, Jørgen Patent: WO2014/49133 A1, 2014 ; Location in patent: Page/Page column 44 ; |
~93% Ethyl 3,5-Dimet... CAS#:35691-93-1 |
Literature: Jung, Jae-Chul; Watkins, E.Blake; Avery, Mitchell A Tetrahedron, 2002 , vol. 58, # 18 p. 3639 - 3646 |
~92% Ethyl 3,5-Dimet... CAS#:35691-93-1 |
Literature: Emelina, E. E.; Ermakov, N. V.; Ershov, B. A.; Zelenin, A. K. Russian Journal of Organic Chemistry, 1994 , vol. 30, # 10 p. 1637 - 1639 Zhurnal Organicheskoi Khimii, 1994 , vol. 30, # 10 p. 1554 - 1555 |
~32% Ethyl 3,5-Dimet... CAS#:35691-93-1 |
Literature: Russian Journal of Organic Chemistry, , vol. 30, # 10 p. 1630 - 1636 Zhurnal Organicheskoi Khimii, , vol. 30, # 10 p. 1548 - 1553 |
~% Ethyl 3,5-Dimet... CAS#:35691-93-1 |
Literature: Tetrahedron, , vol. 58, # 18 p. 3639 - 3646 |
~% Ethyl 3,5-Dimet... CAS#:35691-93-1 |
Literature: Justus Liebigs Annalen der Chemie, , vol. 279, p. 237 |
~%
Detail
|
Literature: Journal of the Indian Chemical Society, , vol. 7, p. 480 Chem. Zentralbl., , vol. 101, # II p. 3024 |
Precursor 8 | |
---|---|
DownStream 1 | |
HS Code | 2933199090 |
---|---|
Summary | 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate |
Ethyl 3,5-Dimethylpyrazole-4-carboxylate |