4-Hydroxydiphenylamine 4-Hydroxydiphenylamine

Structural formula

Business number	03EX
Molecular formula	C12H11NO
Molecular weight	185.22
label	p-hydroxydiphenylamine, 4-(phenylamino)phenol, 4-Anilinophenol, 4-Anilino-1-Hydroxybenzene, 4-(N-Phenylamino)Phenol, 4-(Phenylamino)-phenol, 4-Hydroxydiphenylamine, P-Hydroxydiphenylamine, P-Anilinophenol, 4-(Phenylamino)-pheno, Rubber additives

• 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:122-37-2

MDL number:MFCD00020142

EINECS number:204-538-9

RTECS number:SJ6950000

BRN number:511942

PubChem ID:None

Physical property data

1. Character: The ordinary product is reddish brown melted body, the refined product is orange

2. Melting point (℃):75~80

3. Solubility: Soluble in ethanol, ether, acetone, chloroform and benzene, slightly soluble in water, dilute alkali and inorganic acid.

Toxicological data

1, acute toxicity: rat oral LD50: 3300mg/kg

Mouse oral LD50: 2120mg/kg

Mice were injected intravenously with LD50: 60mg/kg

Unknown mammalian oral administration LD50: 3300mg/kg

Ecological data

None yet

Molecular structure data

1. Molar refractive index:57.50

2. Molar Volume（m³/mol)：153.9

3. Isotonic specific volume（90.2K）：415.6

4. Surface tension（dyne/cm）：53.1

5. Dielectric constant:

6. Dipole moment（10^-24cm³） ：

153.9

3. Isotonic specific volume（90.2K）：415.6

4. Surface tension（dyne/cm）：53.1

5. Dielectric constant:

6. Dipole moment（10^-24cm³） ：

7. Polarizability:22.79

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: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 4

6. Topological molecule polar surface area 32.3

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 158

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

1. Storage

Tightly sealed and protected from light.

Synthesis method

2. Introduction to production methods

Produced by the reaction of aniline and hydroquinone; or obtained by the reaction of bromobenzene and p-aminophenol.

Purpose

3. Purpose

Intermediates for pharmaceuticals, dyes, pesticides, and rubber additives.

alt: auto; mso-margin-bottom-alt: auto” align=left>7. Polarizability:22.79

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: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 4

6. Topological molecule polar surface area 32.3

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 158

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

1. Storage

Tightly sealed and protected from light.

Synthesis method

2. Introduction to production methods

Produced by the reaction of aniline and hydroquinone; or obtained by the reaction of bromobenzene and p-aminophenol.

Purpose

3. Purpose

Intermediates for pharmaceuticals, dyes, pesticides, and rubber additives.