Basic information
- Name:
Pyridine, 4-methyl-
- Superlist Name:
- 4-Methylpyridine
- CAS No.:
108-89-4
- Molecular Structure:
- Formula:
- C6H7N
- Molecular Weight:
- 93.14
- Deleted CAS:
- 82005-09-2|92075-35-9
- Synonyms:
- 4-Picoline(8CI);Ba 35846;NSC 18252;p-Methylpyridine;p-Picoline;g-Methylpyridine;g-Picoline;
- EINECS:
- 203-626-4
- Density:
- 0.95 g/cm3
- Melting Point:
- 2.4 °C(lit.)
- Boiling Point:
- 144.2 °C at 760 mmHg
- Flash Point:
- 40 °C
- Solubility:
- Soluble in water
- Appearance:
- colourless liquid
- Hazard Symbols:
T- Risk Codes:
- 10-20/22-24-36/37/38
- Safety Description:
- 26-36-45 Details
- Transport Information:
- UN 1992 3/PG 3
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Specification
The 4-Methylpyridine, with the CAS registry number 108-89-4, is also known as p-Methylpyridine. It belongs to the product category of Pyridines Derivates. Its EINECS registry number is 203-626-4. This chemical's molecular formula is C6H7N and molecular weight is 93.13. Its IUPAC name is called 4-methylpyridine. This chemical's classification code is Skin / Eye Irritant.
Physical properties of 4-Methylpyridine: (1)ACD/LogP: 1.33; (2)ACD/LogD (pH 5.5): 0.756; (3)ACD/LogD (pH 7.4): 1.315; (4)ACD/BCF (pH 5.5): 1.61; (5)ACD/BCF (pH 7.4): 5.831; (6)ACD/KOC (pH 5.5): 33.622; (7)ACD/KOC (pH 7.4): 121.758; (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: 56.667 °C; (15)Enthalpy of Vaporization: 37.51 kJ/mol; (16)Boiling Point: 144.24 °C at 760 mmHg; (17)Vapour Pressure: 6.465 mmHg at 25°C.
Preparation of 4-Methylpyridine: this chemical can be prepared by acetaldehyde and ammonia. At last, you should collect 142-144 °C fractions. The yield is about 20%.
3CH3CHO+NH3→C6H7N+3H2O+H2↑
Uses of 4-Methylpyridine: it can be used in the production of drugs isoniazid, alexipharmac
obidoxime chloride and trimedoximum. Meanwhile, it is also used in the production of pesticide; dyes; rubber additives and synthetic resin. 4-Methylpyridine can also be used for the preparation of different tobacco acid, different tobacco hydrazine, pesticides, synthetic resin, rubber vulcanization promoting agents, etc. What's more, this chemical can also be used as a solvent.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic. It is harmful by inhalation and if swallowed. In addition, 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)Canonical SMILES: CC1=CC=NC=C1
(2)InChI: InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3
(3)InChIKey: FKNQCJSGGFJEIZ-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| bird - wild | LD50 | oral | 422mg/kg (422mg/kg) | Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983. | |
| guinea pig | LDLo | skin | 500mg/kg (500mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 841, 1986. | |
| mouse | LC50 | inhalation | 4gm/m3 (4000mg/m3) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 57(9-10), Pg. 64, 1992. | |
| mouse | LD50 | intraperitoneal | 335mg/kg (335mg/kg) | Toxicon. Vol. 23, Pg. 815, 1985. | |
| mouse | LD50 | oral | 350mg/kg (350mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 57(9-10), Pg. 64, 1992. | |
| rabbit | LD50 | skin | 270uL/kg (0.27mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| rat | LCLo | inhalation | 1000ppm/4H (1000ppm) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| rat | LD50 | intraperitoneal | 163mg/kg (163mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Fundamental and Applied Toxicology. Vol. 5, Pg. 920, 1985. |
| rat | LD50 | oral | 440mg/kg (440mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 57(9-10), Pg. 64, 1992. |
