Toluene diisocyanate manufacturer Knowledge 3,4-Dimethoxyphenylacetonitrile 3,4-Dimethoxyphenylacetonitrile

3,4-Dimethoxyphenylacetonitrile 3,4-Dimethoxyphenylacetonitrile

3,4-dimethoxyphenylacetonitrile structural formula

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

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



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


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


19. Solubility: Undetermined

Toxicological data

None yet

Ecological data

None yet

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. Polarizability10-24cm3):19.45

Calculate 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 yet

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.

75pt; TEXT-ALIGN: left; mso-list: l0 level2 lfo1; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto; tab-stops: list 36.0pt” align=left>3. Isotonic specific volume ( 90.2K):405.5


4. Surface Tension (dyne/cm):37.7


5. Polarizability10-24cm3):19.45

Calculate 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 yet

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.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/21925

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