CAS No.108-89-4,4-Methylpyridine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	108-89-4
Name:	4-Methylpyridine
Article Data:	229

Formula:	C₆H₇N
Molecular Weight:	93.1283
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:	26-36-45
Transport Information:	UN 1992 3/PG 3
PSA:	12.89000
LogP:	1.39000

Synthetic route

: 1003-67-4
4-methylpyridine-1-oxide

: 108-89-4
picoline

Conditions

Conditions	Yield
With methyloxorhenium(V)(2-(mercaptomethyl)thiophenolate) triphenylphosphine; tetrabutylammomium bromide; triphenylphosphine In water; benzene at 20℃; for 0.7h;	100%
With titanium In tetrahydrofuran for 0.25h; Ambient temperature;	98%
With titanium tetrachloride; tin(ll) chloride In benzene for 0.5h; Ambient temperature;	98%

: 7250-28-4
4-methyl-1-(2-oxo-2-phenylethyl)pyridinium bromide

A: 108-89-4
picoline

B: 98-86-2
acetophenone

Conditions

Conditions	Yield
With tetraethylammonium perchlorate In acetic acid; acetonitrile preparative electrolyse, - 1.33 V;	A 96% B 90%

: bromo(di-4-methylpyridine)(dicarbonyl)(phenylcarbyne)tungsten

: 119072-55-8, 7188-38-7
tert-butylisonitrile

A: 108-89-4
picoline

B: bromo(di-tert-butylisonitrile)(dicarbonyl)(phenylcarbyne)tungsten

Conditions

Conditions	Yield
In dichloromethane under N2 or Ar, refluxed for 3 h, solvent removed under HV; chromd. (silica gel, 0°C, CH2Cl2/Et2O (1/2)), solvent removed, pentane added; elem. anal., IR, NMR, mass spectra;	A n/a B 93%

...Expand

: 4-methyl-1,4-dihydropyridine

: 108-89-4
picoline

Conditions

Conditions	Yield
With dipotassium peroxodisulfate In acetonitrile for 1.5h; Heating;	92%

: 126963-91-5
benzyltri(2-(4-methylpyridyl))phosphonium bromide

A: 108-89-4
picoline

B: 366-18-7
[2,2]bipyridinyl

C: 1134-35-6
4,4'-dimethyl-2,2'-bipyridines

Conditions

Conditions	Yield
With hydrogenchloride In water for 0.5h; Product distribution; Ambient temperature; variation of pH, temp. and time;	A 17% B n/a C 84%

...Expand

: 126963-91-5
benzyltri(2-(4-methylpyridyl))phosphonium bromide

A: 108-89-4
picoline

B: 1134-35-6
4,4'-dimethyl-2,2'-bipyridines

C: C19H19N2OP

Conditions

Conditions	Yield
With hydrogenchloride In water for 0.5h; Ambient temperature;	A 17% B 84% C n/a

...Expand

: 6844-47-9
4-[(trimethylsilanyl)methyl]-pyridine

: 100-52-7
benzaldehyde

A: 108-89-4
picoline

B: 20151-37-5
1-phenyl-2-( pyridin-4-yl)ethanol

Conditions

Conditions	Yield
With hydrogenchloride; potassium fluoride; 18-crown-6 or silica-supported tetrabutylammonium fluoride In tetrahydrofuran at 20℃; for 12h; Yields of byproduct given;	A n/a B 80%

...Expand

: 15854-87-2
4-iodopyridine

: 31729-70-1
bis(iodozinc)methane

: 108-89-4
picoline

Conditions

Conditions	Yield
Stage #1: 4-iodopyridine; bis(iodozinc)methane With triphenylphosphine; nickel dichloride In tetrahydrofuran at 40℃; Stage #2: With hydrogenchloride In tetrahydrofuran; water Reagent/catalyst; chemoselective reaction;	74%

: 6844-47-9
4-[(trimethylsilanyl)methyl]-pyridine

: 100-39-0
benzyl bromide

A: 108-89-4
picoline

B: 2116-64-5
4-(2-phenylethyl)pyridine

Conditions

Conditions	Yield
With hydrogenchloride; potassium fluoride; 18-crown-6 or silica-supported tetrabutylammonium fluoride In tetrahydrofuran at 20℃; for 12h; Yields of byproduct given;	A n/a B 70%

...Expand

: {C6H6NCr(H2O)5}(2+)

A: 108-89-4
picoline

B: 4916-57-8
1,2-bis(4'-pyridyl)ethane

Conditions

Conditions	Yield
In perchloric acid addn. of Na2CO3;;	A 70% B 30%
With sodium carbonate byproducts: pyridine-4-aldehyde;	A 20% B n/a
With Na2CO3
In perchloric acid

Raw Materials

71-43-2

680-31-9

75-05-8

Downstream Products

586-95-8

500-22-1

18096-82-7

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Consensus Reports

Reported in EPA TSCA Inventory.

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.