Blog

Structural formula

Business number	025Y
Molecular formula	C10H11NO2
Molecular weight	177.20
label	(3,4-Dimethoxyphenyl)acetonitrile, Veratrum nitrile, 3,4-Dimethoxybenzonitrile, 3,4-Dimethoxy-benzeneacetonitril, 3,4-Dimethoxybenzyl cyanide

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:93-17-4

MDL number:MFCD00001911

EINECS number:202-225-1

RTECS number:AL9325000

BRN number:1956100

PubChem number:24847718

Physical property data

1. Character:Solid crystal

2. Density (g/mL,25/4?):1.053

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

4. Melting point (ºC): 64-66

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,1.33kPa):171-178

7. Refractive index: Undetermined

8. Flashpoint (ºC): 250

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturation vapor pressure (kPa,60ºC): Undetermined

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of water) partition coefficient: undetermined

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

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

19. Solubility: Undetermined

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 49.07

2. Molar Volume (m³/mol??163.6

3. Isotonic specific volume ( 90.2K):405.5

4. Surface Tension (dyne/cm):37.7

5. Polarizability?10^-24cm³):19.45

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: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 42.2

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 196

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

None

Storage method

This product should be kept sealed and dry.

Synthesis method

From o-dimethoxybenzene ([91-16-7]), via methyl chloride Derived from base and cyanide.

Purpose

Used as an intermediate in organic synthesis.

extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/Low-odor-reaction-type-9727-catalyst-9727-reaction-type-catalyst-9727.pdf
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/07/37.jpg
extended-reading:https://www.newtopchem.com/archives/author/newtopchem
extended-reading:https://www.newtopchem.com/archives/category/products/page/165
extended-reading:https://www.newtopchem.com/archives/40028
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/Trisdimethylaminopropylamine–9-PC-CAT-NP109.pdf
extended-reading:https://www.bdmaee.net/dabco-tmeda-catalyst-cas-110-18-9-evonik-germany/
extended-reading:https://www.cyclohexylamine.net/category/product/page/25/
extended-reading:https://www.newtopchem.com/archives/category/products/rigid-foams-catalyst
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/N-N-Dimethylethanolamine-CAS108-01-0-2-Dimethylamineethanol.pdf