CAS No.108-99-6,3-Picoline Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	108-99-6
Name:	3-Picoline
Article Data:	219

Formula:	C₆H₇N
Molecular Weight:	93.1283
Synonyms:	3-Methylpyridine;NSC 18251;m-Methylpyridine;m-Picoline;b-Methylpyridine;b-Picoline;
EINECS:	203-636-9
Density:	0.957 g/cm³
Melting Point:	-19 °C(lit.)
Boiling Point:	143.516 °C at 760 mmHg
Flash Point:	36.111 °C
Solubility:	soluble in water
Appearance:	Colorless liquid with a sweetish odor
Hazard Symbols:	Xn,C
Risk Codes:	10-20/21/22-34-36/37/38-22
Safety:	16-26-36/37/39-45-36
Transport Information:	UN 2313
PSA:	12.89000
LogP:	1.39000

Raw Materials

412324-07-3

626-67-5

109-04-6

357-57-3

3430-17-9

3099-31-8

74-88-4

96-22-0

Downstream Products

260-32-2

626-56-2

74-86-2

Total:107 Page 1 of 3 1 2 3 Next>>

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Consensus Reports

3-PICOLINE is reported in EPA TSCA Inventory.

Specification

The 3-Picoline, with the CAS registry number 108-99-6, is also known as Pyridine, 3-methyl-. It belongs to the product category of Pyridines Derivates. Its EINECS registry number is 203-636-9. This chemical's molecular formula is C₆H₇N and molecular weight is 93.12648. Its IUPAC name is called 3-methylpyridine. This chemical's classification code is Skin / Eye Irritant.

Physical properties of 3-Picoline: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1.334; (5)ACD/BCF (pH 5.5): 3.007; (6)ACD/BCF (pH 7.4): 6.063; (7)ACD/KOC (pH 5.5): 62.482; (8)ACD/KOC (pH 7.4): 125.965; (9)#H bond acceptors: 1; (10)Index of Refraction: 1.501; (11)Molar Refractivity: 29.169 cm³; (12)Molar Volume: 98.932 cm³; (13)Surface Tension: 34.098 dyne/cm; (14)Density: 0.941 g/cm³; (15)Flash Point: 36.111 °C; (16)Enthalpy of Vaporization: 37.35 kJ/mol; (17)Boiling Point: 143.516 °C at 760 mmHg; (18)Vapour Pressure: 6.678 mmHg at 25°C.

Preparation of 3-Picoline: this chemical can be prepared by 3-methyl-pyridine 1-oxide. This reaction will need reagents indium, TiCl₄ and solvent tetrahydrofuran. The reaction time is 5 min with reaction temperature of 20 °C. The yield is about 93%.

3-Picoline can be prepared by 3-methyl-pyridine 1-oxide

Uses of 3-Picoline: it can be used to produce 3-methyl-piperidine. This reaction will need reagents alcohol and sodium.

3-Picoline can be used to produce 3-methyl-piperidine

3-Picoline is mainly used to produce vitamin B6, niacin and niacinamide, Nicholas Ming and such drugs; In addition, it can also be used as a solvent, tobacco and acid, tobacco and amides, Nick brake meters, alcohol degeneration agent, dye intermediates, resin intermediate, rubber vulcanization promoting agents, pesticides, water-proofing agent raw material, and film monomer additive.

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. Finally, you must avoid contacting it with skin and eyes. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CN=CC=C1
(2)InChI: InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3
(3)InChIKey: ITQTTZVARXURQS-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
bird - wild	LD50	oral	1gm/kg (1000mg/kg)		Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
guinea pig	LD50	skin	1gm/kg (1000mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 841, 1986.
mouse	LD50	intraperitoneal	596mg/kg (596mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 82, 1946.
mouse	LD50	intravenous	298mg/kg (298mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 82, 1946.
quail	LD50	oral	1gm/kg (1000mg/kg)		Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
rabbit	LDLo	skin	200mg/kg (200mg/kg)	BEHAVIORAL: FOOD INTAKE (ANIMAL) GASTROINTESTINAL: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI	National Technical Information Service. Vol. OTS0534823,
rat	LCLo	inhalation	11820mg/m³/5H (11820mg/m³)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA	National Technical Information Service. Vol. OTS0534823,
rat	LD50	intraperitoneal	150mg/kg (150mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Fundamental and Applied Toxicology. Vol. 5, Pg. 920, 1985.
rat	LD50	oral	400mg/kg (400mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 841, 1986.