3-Cyano-4-methylpyridine

Details:

1. Introduction of 3-Cyano-4-methylpyridine

3-Cyano-4-methylpyridine (CAS NO.5444-01-9) is a similar white to brown crystal and can be used as a intermediate. We can provide its ≥98.0%(GC) to you. Our production capacity is 10 metric ton per year. It is always in stock and can be sent from the beijing port. The FOB price of this product can be 0-100000 USD/kilogram. Whereas, the min. order of it is 1 kilogram. Besides, we are glad to receive from the L/C or T/T.

Other detailed information:

CAS NO.: 5444-01-9
Formula:     C₇H₆N₂
M.W.:     118.14  
Feature:  Similar white to brown crystal, mp 41-44℃.

Appearance :Similar white to brown crystal 
Assay: ≥98.0%(GC)
Moisture: ≤0.5%

Our Package: 25KG/NET Fiber Drum with double lined plastic bag inside 



Packaging Details: Fiber Drum Size: diameter 350mm x height 500mm,tare weight: 2.8-2.9kg 
                             PE bag: width 600mm x height 900mm xthickness 0.06mm

2. Basic information of 3-Cyano-4-methylpyridine

1) Properties:

(1)XLogP3-AA: 0.9; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 0; (5)Exact Mass: 118.053098; (6)MonoIsotopic Mass: 118.053098; (7)Topological Polar Surface Area: 36.7; (8)Heavy Atom Count: 9; (9)Formal Charge: 0; (10)Complexity: 133; (11)Isotope Atom Count: 0; (12)Defined Atom Stereocenter Count: 0; (13)Undefined Atom Stereocenter Count: 0; (14)Defined Bond Stereocenter Count: 0; (15)Undefined Bond Stereocenter Count: 0; (16)Covalently-Bonded Unit Count: 1; (17)Feature 3D Acceptor Count: 2; (18)Feature 3D Ring Count: 1; (19)Effective Rotor Count: 0; (20)Conformer Sampling RMSD: 0.4.

2) Descriptors of Structure

IUPAC Name: 4-methylpyridine-3-carbonitrile
InChI: InChI=1S/C7H6N2/c1-6-2-3-9-5-7(6)4-8/h2-3,5H,1H3
InChIKey: XLAPHZHNODDMDD-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C=NC=C1)C#N