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CAS No.: | 109-06-8 |
---|---|
Name: | 2-Picoline |
Article Data: | 276 |
Molecular Structure: | |
Formula: | C6H7N |
Molecular Weight: | 93.1283 |
Synonyms: | RCRA waste number U191;CCRIS 1721;AI3-24109;AI3-2409;alpha-Methylpyridine;o-Picoline; |
EINECS: | 203-643-7 |
Density: | 0.94 g/cm3 |
Melting Point: | -70 °C(lit.) |
Boiling Point: | 127.544 °C at 760 mmHg |
Flash Point: | 26.111 °C |
Solubility: | miscible with water |
Appearance: | colourless to yellow liquid with an unpleasant smell |
Hazard Symbols: | Xn |
Risk Codes: | 10-20/21/22-36/37 |
Safety: | 26-36 |
Transport Information: | UN 2313 3/PG 3 |
PSA: | 12.89000 |
LogP: | 1.39000 |
propene
A
α-picoline
Conditions | Yield |
---|---|
<10 min, 23°C, 1 atm.; monitored by NMR; | A n/a B 100% |
Conditions | Yield |
---|---|
With benzyl alcohol at 120℃; for 6h; Inert atmosphere; | 99% |
With cis-Cyclooctene; trans-dioxo(5,10,15,20-tetramesitylporphirinato)ruthenium(VI) In benzene at 80℃; for 15h; | 96% |
With diphosphorus tetraiodide In dichloromethane Heating; 10-20 min; | 95% |
Conditions | Yield |
---|---|
at 150℃; for 22h; Autoclave; | 94.3% |
With decaethylene glycol mono n-hexadecyl ether; cyclopentadienyl-cyclooctadienyl-cobalt(I) In water for 4h; Ambient temperature; Irradiation; | 18% |
(η5-cyclopentadienyl)-η4-cycloocta-1,5-dienecobalt(I) at 40℃; for 2h; Irradiation; Yield given; | |
trimethylsilyl modified Cp-CO catalyst at 130 - 152℃; under 15001.2 Torr; for 2h; | |
η5-cyclopentadienylbis(ethene)cobalt at 40℃; for 3h; Product distribution; in the dark; variation of reaction time, temperature, catalyst. The influence of light and irradiation was investigated.; |
Conditions | Yield |
---|---|
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; cesium fluoride In 2-pentanol at 100℃; for 18h; Inert atmosphere; | A 93.1% B 6.9% |
Conditions | Yield |
---|---|
With hydrogen; Ni-Cr catalyst at 160℃; under 30400 Torr; for 8h; Product distribution; temperatures from 140 to 192 deg C, pressure 20 to 65 atm, reaction time 5 - 8 h; | A 91.8% B n/a C 0.1% |
Conditions | Yield |
---|---|
With Fe-MnOx-Yb at 475℃; Gas phase; | 89.5% |
nickel(II) nitrate for 8h; Ambient temperature; Irradiation; | 37.1% |
With nano-diatomite modified magnesium aluminum hydrotalcite at 140 - 500℃; Temperature; |
Conditions | Yield |
---|---|
With samarium diiodide; phosphoric acid In tetrahydrofuran for 0.000555556h; Ambient temperature; | 88% |
benzyltri(2-(6-methylpyridyl))phosphonium bromide
A
α-picoline
B
6,6'-dimethyl-2,2'-bipyridine
Conditions | Yield |
---|---|
With hydrogenchloride In water for 10h; Heating; | A 68% B 87% C n/a |
With hydrogenchloride In water for 10h; Product distribution; Heating; variation of pH, temp. and time; | A 68% B 87% C n/a |
With hydrogenchloride In water for 10h; Heating; | A 68% B 68% C n/a |
N-cetyl-α-methylpyridinium iodide
α-picoline
Conditions | Yield |
---|---|
With triethylammonium hydrogensulfite at 150℃; for 30h; Mechanism; | 86% |
triphenyl-(2-pyridylmethyl)phosphonium chloride
α-picoline
Conditions | Yield |
---|---|
With potassium tert-butylate; benzyl alcohol In tetrahydrofuran at 40℃; for 6h; Inert atmosphere; | 80% |
The 2-Methylpyridine, or 2-Picoline, is the compound described with formula C6H7N. With the CAS registry number 109-06-8, it is a colorless liquid. This chemical's classification codes are Mutation Data; Skin / Eye Irritant. Its EINECS registry number is 203-643-7. In addition, its IUPAC name is called 2-methylpyridine.
Physical properties of 2-Methylpyridine: (1)ACD/LogP: 1.22; (2)ACD/LogD (pH 5.5): 0.64; (3)ACD/LogD (pH 7.4): 1.204; (4)ACD/BCF (pH 5.5): 1.31; (5)ACD/BCF (pH 7.4): 4.798; (6)ACD/KOC (pH 5.5): 28.898; (7)ACD/KOC (pH 7.4): 105.888; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.501; (10)Molar Refractivity: 29.169 cm3; (11)Molar Volume: 98.932 cm3; (12)Surface Tension: 34.098 dyne/cm; (13)Density: 0.941 g/cm3; (14)Flash Point: 26.111 °C; (15)Enthalpy of Vaporization: 36.17 kJ/mol; (16)Boiling Point: 127.544 °C at 760 mmHg; (17)Vapour Pressure: 13.468 mmHg at 25°C.
Preparation: 2-Methylpyridine was the first pyridine compound reported to be isolated in pure form. It is now mainly produced by two principal routes, the condensation of acetaldehyde, formaldehyde, and ammonia and the cyclization of nitriles and acetylene. One example of such reaction is the combination of acetaldehyde and ammonia:
Uses of 2-Methylpyridine: it is a versatile building block and can be used as a precursor to a variety of derivatives. For example, oxidation by potassium permanganate affords picolinic acid:
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccccn1
(2)InChI: InChI=1/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3
(3)InChIKey: BSKHPKMHTQYZBB-UHFFFAOYAR
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | oral | 900mg/kg (900mg/kg) | Hygiene and Sanitation Vol. 33(10-12), Pg. 341, 1968. | |
mouse | LC50 | inhalation | 9gm/m3 (9000mg/m3) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 57(9-10), Pg. 64, 1992. | |
mouse | LD50 | intraperitoneal | 529mg/kg (529mg/kg) | Toxicon. Vol. 23, Pg. 815, 1985. | |
mouse | LD50 | oral | 674mg/kg (674mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(12), Pg. 62, 1980. |
rabbit | LD50 | skin | 410uL/kg (0.41mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. | |
rat | LCLo | inhalation | 4000ppm/4H (4000ppm) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. | |
rat | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Fundamental and Applied Toxicology. Vol. 5, Pg. 920, 1985. |
rat | LD50 | oral | 790mg/kg (790mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(12), |