N-phenyldiolamine

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:120-07-0

MDL number:MFCD00002845

EINECS number:204-368-5

RTECS number:KM2100000

BRN number:2096832

PubChem number:24898298

Physical property data

1. Properties: Colorless to slightly yellow crystals

2. Density (g/mL, 25℃): 1.120

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

4. Melting point (ºC): 56~58

5. Boiling point (ºC, normal pressure): 270

6 . Boiling point (ºC, 2.0KPa): 228

7. Refractive index: Undetermined

8. Flash point (ºC): 178

9. Ratio Optical rotation (º): Undetermined

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

11. Vapor pressure (mmHg,ºC): Undetermined

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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) partition coefficient: Undetermined

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

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: soluble To benzene, ether and ethanol

Toxicological data

1. Irritation: Rabbit eye: 100mg Severe irritation

2. Acute toxicity: Rat oral LD50: 980mg/kg

Mouse oral LD50: 360mg /kg

Ecological data

Slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 52.90

2. Molar volume (cm³/mol): 155.4

3. Isotonic specific volume (90.2K): 422.3

4. Surface tension (dyne/cm): 54.4

5 , Polarizability (10-24cm3): 20.97

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 43.7

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 118

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 strong oxidizing agents.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and water. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment.

Lined with plastic bags and packed in iron drums.

Synthesis method

Obtained from the addition of aniline and ethylene oxide.

Purpose

It is used as an intermediate for medicines and dyes, and for the production of anti-tumor drugs N-formylsarcolysin and anti-neoplasmic acid. Also used in the production of dye nylon mountain ruby. This dye is also called weak acid red 5BL or weak acid ruby ​​N-5BL. It is used for dyeing wool and nylon, and can be used for dyeing leather.