4-Methylaminophenol sulfate

May 15, 2024by admin0

4-Methylaminophenol sulfate structural formula

Structural formula

Business number	016W
Molecular formula	C7H9NO·1/2H2SO4
Molecular weight	172.19
label	4-(methylamino)phenol sulfate, Metol

Numbering system

CAS number:55-55-0

MDL number:MFCD00013140

EINECS number:200-237-1

RTECS number:SL8650000

BRN number:3919382

PubChem number:24859237

Physical property data

1. Character:Colorless needle-like crystals. Discolors in air.

2. Density (g/mL,25/4℃): 1.250

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

4. Melting point (ºC): 260℃(decomposition)

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

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

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa,60ºC): Undetermined

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of water) partition coefficient: Undetermined

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

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

19. Solubility:soluble in201 cup cold water,6part of boiling water, slightly soluble in ethanol, insoluble in ether.

Toxicological data

1, acute toxicity: rat oral LDLo: 200mg/kg; rat abdominal cavity LD50: 50mg/kg; Rat LD50: 705mg/ kg; mouse oral LD50: 565mg/kg; mouse LD50: 769 mg/kg; Guinea pig, skin contact LD50: > 1mg/kg; guinea pigLD50: 1585 mg/kg;

2, other multi-dose Toxicity: Rat Oral TDLo: 9350mg/kg/11D-C; Rat Oral TDLo: 6600mg/kg/94D-I; Rat TDLo: 4300mg/kg/61D-I
3, mutagenicity: mutationmicroorganismsTESTSystem: bacteria–Salmonella typhimurium: 167ug/plate

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):

2. Number of hydrogen bond donors: 6

3. Number of hydrogen bond acceptors: 8

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 3

6. Topological molecular polar surface area (TPSA):139

7. Number of heavy atoms: 23

8. Surface charge: 0

9. Complexity: 158

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13. Determine the chemical bond configurationCore quantity: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 3

Properties and stability

None

Storage method

This product should be sealed and stored in a cool place.

Synthesis method

Methylaminophenol ([ 150-75-4]), and then converted into salt.

Purpose

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