2-Chloro-6-nitrotoluene 2-Chloro-6-nitrotoluene

Structural formula

• 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:83-42-1

MDL number:MFCD00007205

EINECS number:201-475-9

RTECS number:XS9130000

BRN number:1239924

PubChem number:24855517

Physical property data

1. Characteristics: needle-like crystals.

2. Density (g/mL,25/4℃): Unsure

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

4. Melting point (ºC): 37 -40℃

5. Boiling point (ºC,Normal pressure):238℃

6. Boiling point (ºC,5.2kPa): Unsure

7. Refractive index:1.5377（69 ℃)

8. Flashpoint (ºC): 125℃

9. Specific optical rotation (º): Unsure

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

11. Vapor pressure (kPa,25ºC): Unsure

12. Molar volume (m³ /mol):129.5

3. isotonic specific volume (90.2K):336.2

4. Surface Tension (dyne/cm):45.4

5. Polarizability（10^-24cm³):16.85

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 45.8

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 157

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

Obtained from the nitration of o-xylene. Cool o-xylene to -10℃, add pre-cooled mixed acid dropwise while stirring (1 portion66%nitric acid2 portion98%sulfuric acid). The dripping temperature is controlled at-10～-5℃, add, continue stirring0.5h. Leave to stand to separate the waste acid from the lower layer, take the nitrification solution from the upper layer and use water and water in sequence. 5%Sodium hydroxide solution and water washing, then steam distillation, and then fractionation to obtain3-Nitro-o-xylene. Yield50%.

Purpose

Used as pharmaceutical intermediates .

: 9pt; FONT-FAMILY: 宋体; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial; mso-ansi-language: EN-US; mso -fareast-language: ZH-CN; mso-bidi-language: AR-SA”>℃, add pre-cooled mixed acid dropwise under stirring (1 shares 66%nitric acid2 portion98%formed with sulfuric acid). The dripping temperature is controlled at-10～-5℃, add, continue stirring0.5h. Leave to stand to separate the waste acid from the lower layer, take the nitrification solution from the upper layer and use water and water in sequence. 5%Sodium hydroxide solution and water washing, then steam distillation, and then fractionation to obtain3-Nitro-o-xylene. Yield50%.

Purpose

Used as pharmaceutical intermediates .

ter: line-break”>

Purpose

Used as pharmaceutical intermediates .