2-Nitro-p-cresol

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:119-33-5

MDL number:MFCD00007120

EINECS number:204-315-6

RTECS number:GP2800000

BRN number:1868022

PubChem number:24897088

Physical property data

1. Properties: yellow solid.

2. Density (g/mL, 25℃): 1.24

3. Relative vapor density (g/mL, air=1): 5.80

4. Melting point (ºC): 32-35

5. Boiling point (ºC, normal pressure): 234

6. Boiling point (ºC, 2.93KPa): 125

7. Refractive index _(n⁴⁰_D): 1.5744

8. Flash point (ºC): 108

9. Specific rotation (º): Undetermined

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

11. Vapor Pressure (mmHg, ºC): Undetermined

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

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

p>

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil-water (octanol/water) partition coefficient Logarithmic value of p>

19. Solubility: Easily soluble in ethanol and ether, slightly soluble in cold water, benzene and carbon disulfide.

Toxicological data

1. Acute toxicity: Rat oral LD50: 3360mg/kg

Ecological data

Mildly hazardous to water.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 39.50

2. Molar volume (cm³/mol): 115.9

3. Isotonic specific volume (90.2K): 315.4

4. Surface tension (dyne/cm): 54.7

5. Polarizability (10^-24cm³): 15.66

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 4

6. Topological molecule polar surface area 66

7.Chongyuan��Number: 11

8. Surface charge: 0

9. Complexity: 154

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

1. Avoid contact with strong oxidants, strong bases, acid chlorides, and acid anhydrides.

2. Exist in mainstream smoke.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, alkalis, etc. and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

It is obtained by diazotization, nitration and hydrolysis of p-toluidine.

Purpose

This product is an organic intermediate. Used in the production of dyes, fluorescent whitening agent DT, herbicides, etc. Used as dye intermediate and intermediate for producing polyester whitening agent, used to prepare methoxyclixidine and ethoxyclixidine, etc.