4-Cyanopyridine 4-Cyanopyridine

4-cyanopyridine structural formula

4-cyanopyridine structural formula

Structural formula

Business number 02J1
Molecular formula C6H4N2
Molecular weight 104.11
label

4-cyanopyridine,

4-pyridinecarbonitrile,

Pyridine-4-nitrile,

Isonicotinic acid nitrile,

Isoniazonitrile,

4-cyanonicotine,

Isonicotine nitrile,

Isonicotinic Acid Nitrile,

Isonicotinonitrile,

Akos Bbs-00004486,

4-Pyridinecarbonitrile,

4-Cyanopyridine,

Timtec-Bb Sbb008923,

Specs Ac-907/25014099,

4-Pyridinenitrile

Numbering system

CAS number:100-48-1

MDL number:MFCD00006417

EINECS number:202-856-2

RTECS number:None

BRN number:107712

PubChem ID:None

Physical property data

1. Properties: White to light yellow needle-like crystals with a characteristic odor.

2. Density (g/mL, 20℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 88

5. Boiling point (ºC, normal pressure): 196

6. Boiling point (ºC, 0.7mmHg): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): 77-81

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, ºC): Not determined

12. Saturated vapor pressure ( kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined

17. Explosion upper limit (%, V/ V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Soluble in ethanol, ether and benzene.

Toxicological data

1. Acute toxicity: Rat oral LD5O: 710mg/kg

Rabbit transdermal LD5O: >20g/kg

Ecological Mathematics�

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 29.11

2. Molar volume (cm3/mol): 92.8

3. Isotonic specific volume (90.2K ): 248.5

4. Surface tension (dyne/cm): 51.4

5. Dielectric constant:

6. Dipole moment (10-24cm3):

7. Polarizability: 11.54

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 36.7

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 105

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxidizing agents.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. Keep sealed. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None yet

Purpose

The main uses are pharmaceutical and pesticide intermediate products.

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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