CAS No.1620-76-4,2-CYANO-4-METHYLPYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1620-76-4
Name:	2-CYANO-4-METHYLPYRIDINE
Article Data:	34

Formula:	C₇H₆N₂
Molecular Weight:	118.138
Synonyms:	Picolinonitrile,4-methyl- (6CI,7CI,8CI);4-Methyl-2-cyanopyridine;4-Methyl-2-pyridinecarbonitrile;
EINECS:	-0
Density:	1.08 g/cm³
Melting Point:	88-91 °C
Boiling Point:	261.1 °C at 760 mmHg
Flash Point:	99.9 °C
Solubility:	Slightly soluble in water.
Hazard Symbols:	Xi
Risk Codes:	22-37/38-41
Safety:	26-39
Transport Information:	UN 3276
PSA:	36.68000
LogP:	1.26168

Synthetic route

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

: 7677-24-9
trimethylsilyl cyanide

: 1620-76-4
2-Cyano-4-methylpyridin

Conditions

Conditions	Yield
With N,N-Dimethylcarbamoyl chloride In dichloromethane for 120h; Ambient temperature;	100%
Stage #1: 4-methylpyridine-1-oxide; trimethylsilyl cyanide With N,N-Dimethylcarbamoyl chloride In dichloromethane at 20℃; for 24h; Stage #2: With potassium carbonate In dichloromethane; water for 0.5h;	96%
With triethylamine In acetonitrile at 100 - 110℃; for 20h;	89%

: 108-89-4
picoline

: 151-50-8
potassium cyanide

: 1620-76-4
2-Cyano-4-methylpyridin

Conditions

Conditions	Yield
Stage #1: picoline With nitric acid; trifluoroacetic anhydride at 20℃; Stage #2: potassium cyanide With sodium acetate at 20℃; for 12h;	42%

: 151-50-8
potassium cyanide

: 51384-29-3
1-methoxy-4-methylpyridin-1-ium methyl sulfate

: 1620-76-4
2-Cyano-4-methylpyridin

Conditions

Conditions	Yield
In ethanol; water at -18 - -12℃; for 3h;	35%

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

: 77-78-1
dimethyl sulfate

: 1620-76-4
2-Cyano-4-methylpyridin

Conditions

Conditions	Yield
In water	6.78%
Behandeln mit Kaliumcyanid in wss. Dioxan;

: 3678-62-4
2-chloro-4-picoline

: 1620-76-4
2-Cyano-4-methylpyridin

Conditions

Conditions	Yield
With water; sodium sulfite at 180 - 190℃; Schmelzen des Reaktionsprodukts mit KCN;

: 460-19-5
ethanedinitrile

: 78-79-5
isoprene

: 1620-76-4
2-Cyano-4-methylpyridin

Conditions

Conditions	Yield
at 490℃;
at 490℃;

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

: 151-50-8
potassium cyanide

: 77-78-1
dimethyl sulfate

: 1620-76-4
2-Cyano-4-methylpyridin

Conditions

Conditions	Yield
1.) reflux, 5 h, 2.) water, 4 deg C; Yield given. Multistep reaction;

...Expand

: 100-70-9
2-Cyanopyridine

: 67-56-1
methanol

: 1620-76-4
2-Cyano-4-methylpyridin

Conditions

Conditions	Yield
With sulfuric acid Irradiation; Co-60 γ-rays;

: 143-33-9
sodium cyanide

1-methoxy-4-methyl-pyridinium-methyl sulfate: 1-methoxy-4-methyl-pyridinium-methyl sulfate

: 1620-76-4
2-Cyano-4-methylpyridin

Conditions

Conditions	Yield
With water

: 151-50-8
potassium cyanide

1-methoxy-4-methyl-pyridinium-methyl sulfate: 1-methoxy-4-methyl-pyridinium-methyl sulfate

: 1620-76-4
2-Cyano-4-methylpyridin

Conditions

Conditions	Yield
With 1,4-dioxane; water

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Specification

The 2-Cyano-4-methylpyridine, with the CAS registry number 1620-76-4, has the systematic name of 4-methylpyridine-2-carbonitrile. It belongs to the the product categories of Pyridines and Heterocyclic Compounds. And the molecular formula of the chemical is C₇H₆N₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.97; (4)ACD/LogD (pH 7.4): 0.97; (5)ACD/BCF (pH 5.5): 3.22; (6)ACD/BCF (pH 7.4): 3.22; (7)ACD/KOC (pH 5.5): 80.46; (8)ACD/KOC (pH 7.4): 80.46; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.68 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 33.74 cm³; (15)Molar Volume: 108.9 cm³; (16)Polarizability: 13.37×10^-24cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.08 g/cm³; (19)Flash Point: 99.9 °C; (20)Enthalpy of Vaporization: 49.89 kJ/mol; (21)Boiling Point: 261.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0117 mmHg at 25°C.

Preparation of 2-Cyano-4-methylpyridine: This chemical can be prepared by 4-methyl-pyridine-1-oxide and trimethyl-silanecarbonitrile. The reaction will need reagent DBU, and the menstruum tetrahydrofuran. The reaction time is 5 hours with heating, and the yield is about 44%.

Uses of 2-Cyano-4-methylpyridine: It can react to produce C₇H₇NO₂^.ClH. This reaction will need reagent 6 NHCl. The reaction time is 24 hours with heating, and the yield is about 93%.

You should be cautious while dealing with this chemical. It irritats to eyes and respiratory system, and is harmful if swallowed, what's more, it has risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable protective eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#Cc1nccc(c1)C
(2)InChI: InChI=1/C7H6N2/c1-6-2-3-9-7(4-6)5-8/h2-4H,1H3
(3)InChIKey: LQAWSWUFSHYCHP-UHFFFAOYAC