3-皮考林
3-Picoline
CAS: 108-99-6
Molecular Formula: C6H7N
3-皮考林 - Names and Identifiers
| Name | 3-Picoline |
| Synonyms | bPicolin 3-Picoline m-Picoline B-Picoline BETA-PICOLINE -Methylpyridine m-methylpyridine β-Methylpyridine 3-Methylpyridine 3-picoline (beta) pyridine,3-methyl- beta-Methylpyridine meta-Methylpyridine |
| CAS | 108-99-6 |
| EINECS | 203-636-9 |
| InChIKey | ITQTTZVARXURQS-UHFFFAOYSA-N |
3-皮考林 - Physico-chemical Properties
| Molecular Formula | C6H7N |
| Molar Mass | 93.13 |
| Density | 0.957 g/mL at 25 °C (lit.) |
| Melting Point | -19 °C (lit.) |
| Boling Point | 144 °C (lit.) |
| Flash Point | 97°F |
| Water Solubility | soluble |
| Solubility | alcohol: miscible(lit.) |
| Vapor Presure | 4.4 mm Hg ( 20 °C) |
| Vapor Density | 3.2 (vs air) |
| Appearance | Liquid |
| Color | Clear yellow |
| Odor | Unpleasant |
| Merck | 14,7401 |
| BRN | 1366 |
| pKa | 5.68(at 20℃) |
| PH | 10 (100g/l, H2O, 20℃) |
| Storage Condition | Flammables area |
| Stability | Stable. Flammable. Hygroscopic. Incompatible with oxidizing agents. |
| Explosive Limit | 1.3-8.7%(V) |
| Refractive Index | n20/D 1.504(lit.) |
| Physical and Chemical Properties | Properties: colorless oily liquid with unpleasant odor melting point -18.3 ℃ boiling point 143.9 ℃ relative density 0.957 refractive index 1.5040 solubility in water, ethanol, ether miscible |
| Use | Used in the pharmaceutical industry, but also used as dye intermediates, resin intermediates, pesticides and waterproofing agents, is an important intermediate for drug synthesis, can be used for the synthesis of a variety of drugs |
3-皮考林 - Risk and Safety
| Risk Codes | R10 - Flammable R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R34 - Causes burns R36/37/38 - Irritating to eyes, respiratory system and skin. R22 - Harmful if swallowed |
| Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36 - Wear suitable protective clothing. |
| UN IDs | UN 2313 3/PG 3 |
| WGK Germany | 1 |
| RTECS | TJ5000000 |
| TSCA | Yes |
| HS Code | 29333999 |
| Hazard Class | 3 |
| Packing Group | III |
3-皮考林 - Upstream Downstream Industry
| Raw Materials | Benzene Ammonia Sulfuric acid |
3-皮考林 - Nature
Open Data Verified Data
colorless liquid with unpleasant odor. Relative density (water 1)0.96. Melting Point -17.7 °c. Boiling point 143.5 °c. The vapor pressure is 12. 87kPa/81.3 ℃. Flash point 40 °c. Soluble in water, alcohol, ether, soluble in most organic solvents.
Last Update：2024-01-02 23:10:35
3-皮考林 - Use
Open Data Verified Data
used as a solvent in organic synthesis and in the preparation of nicotine and nicotinamide. Used in the pharmaceutical industry; Also used as dye intermediates, resin intermediates, pesticides and waterproofing agents.
Last Update：2022-01-01 10:53:06
3-皮考林 - Safety
Open Data Verified Data
- health hazards: inhalation, ingestion, percutaneous absorption. Health hazards: exposure to this product can appear fatigue, general weakness, lethargy, severe nervous system symptoms, such as gait instability, transient loss of consciousness and so on.
- toxicological data and environmental behavioral toxicity: low toxicity. Acute toxicity: LD50 400 ~ 800mg/kg
- (Rat oral);LD50 800-1600mg/kg (mouse oral). Hazard characteristics: flammable, in case of high heat, open fire or contact with oxidant, there is a risk of combustion explosion. Toxic nitrogen oxide smoke is released by thermal decomposition. Combustion (decomposition) products: carbon monoxide, carbon dioxide, nitrogen oxides.
- Protection Measure respiratory system protection: filter gas mask (half mask) should be worn when possible contact with its vapor. If necessary, it is recommended to wear an air respirator. Eye protection: wear chemical safety glasses. Body Protection: wear anti-virus penetration work clothes. Hand Protection
- Protection: wear rubber gloves. Other: no smoking at work site. After work, take a shower and change clothes. Pay attention to personal hygiene.
- small-mouth iron drum is used for packaging and transportation. Store in a cool and ventilated place. Hazardous materials shall be stored and transported according to regulations.
Last Update：2022-01-01 10:53:06
3-皮考林 - Reference Information
| LogP | 1.2 at 20℃ |
| (IARC) carcinogen classification | 3 (Vol. 122) 2019 |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Uses | 3-methylpyridine, also known as β-methylpyridine and 3-picoline, is an organic synthesis intermediate and solvent. It is used as an intermediate of insecticides imidacloprid and acetamiprid for the synthesis of the next intermediate 3-methylpyridine-N-oxide, and can also be used as a pharmaceutical intermediate, dye intermediate, resin intermediate, etc. Mainly used in the manufacture of vitamin B6, nicotinic acid and nicotinamide, nicoramine and cardiotonic and other drugs; it can also be used as solvents, alcohol mutants, dye intermediates, resin intermediates, rubber vulcanization accelerators, Insecticides, raw materials for waterproofing agents, and additives for film sensitizers. used in the pharmaceutical industry, also used as dye intermediates, resin intermediates, insecticides and waterproofing agents, etc. mainly used in the manufacture of vitamin B, niacin, cardiotonic agents, etc., and can also be used as solvents, alcohol Denaturing agents, various intermediates, pesticides |
| production method | recovered from coal coking by-products and also produced by synthetic method. Reacts by acetaldehyde, formaldehyde and ammonia. Using SiO2-Al2O2-Bi2O3 as catalyst, the molar ratio of raw materials is acetaldehyde: 37% formaldehyde: ammonia = 1.648:3.096, and the reaction is carried out at 432 ℃. The yield of pyridine is 48.4%, and the yield of 3-methylpyridine is 27.0%. Change the catalyst composition and other reaction conditions to adjust the ratio of product formation. The yield of 3-methylpyridine can reach 59.7% by selecting suitable ingredients and catalyst and replacing ammonia with hexamethylenetetramine. There are two production methods for 3-methylpyridine. One is recovered from coal coking by-products; the other is synthesized by the reaction of acetaldehyde, formaldehyde and ammonia. Using SiO2-Al2O3-Bi2O3 as catalyst, the raw material ratio is acetaldehyde: 37% formaldehyde: ammonia = 1.648: 1.665: 3.096 (molar ratio), the reaction is carried out at 432 ℃, and the yields of pyridine and 3-methylpyridine are 48.4% and 27.0% respectively. If the catalyst composition and other reaction conditions are changed, the production ratio of the product can be adjusted. For example, if the appropriate ratio and catalyst are selected and hexamethylenetetramine is used instead of ammonia, the yield of 3-methylpyridine can reach 59.7%. |
| category | flammable liquid |
| toxicity classification | poisoning |
| acute toxicity | oral administration-rat LD50: 400 mg/kg; Abdominal cavity-mouse LD50: 596 mg/kg |
| explosive hazard characteristics | blastable when mixed with air |
| flammability hazard characteristics | it is more flammable in case of open flame, high temperature and oxidant; toxic nitrogen oxide gas generated by heating |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Store separately from oxidants and acids |
| fire extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 fire extinguishing agent |
| spontaneous combustion temperature | ~ 1000 °F |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 15:16:47
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Raw Materials for 3-皮考林