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Structural formula

Business number	01T6
Molecular formula	C8H9NO4
Molecular weight	183.16
label	2-Methyl-3-hydroxy-4-carboxy-3-hydroxymethylpyridine, 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid, 2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine, 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid

• 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:82-82-6

MDL number:MFCD00006334

EINECS number:201-440-8

RTECS number:NS1800000

BRN number:None

PubChem number:24899046

Physical property data

1. Character: wedge-shaped crystal

2. Density (g/mL,25/4?)?1.72

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

4. Melting point (ºC): 247 ?248

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

6. Boiling point (ºC,5.2kPa): Unsure

7. Refractive index: Uncertain

8. Flashpoint (ºC): Unsure

9. Specific optical rotation (º): Unsure

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

11. Vapor pressure (kPa,25ºC): Unsure

12. ?? and vapor pressure (kPa,60ºC): Unsure

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

14. Critical temperature (ºC): Unsure

15. Critical pressure (KPa): Unsure

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

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

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

19. Solubility: soluble in alkaline aqueous solution, slightly soluble in water, ethanol, pyridine, insoluble in ether and acidic aqueous solution

Toxicological data

Acute toxicity:

Rat caliber LD50: 7500 mg/kg; rat subcutaneous LD50 : 5400 mg/kg; rat intravenous LD50: 2050 mg/kg

Mouse caliber LD50: 2900 mg/kg; Mouse subcutaneous LD50 : 2500 mg/kg; mouse intravenous LD50: 500 mg/kg

Ecological data

None yet

Molecular structure data

1. Molar refractive index:44.43

2. Molar volume (m³/mol??123.7

3. isotonic specific volume (90.2K):369.7

4. Surface Tension (dyne/cm):79.8

5. Polarizability?10^-24cm³):17.61

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.1

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 4

6. Topological molecule polar surface area 90.6

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 197

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

has unique blue fluorescence,pH3?4 is the largest and reacts with bisulfite to fluoresce disappears, and reacts with hydrogen peroxide to return to the original fluorescence intensity.

Storage method

Should be sealed in0?The following is stored dry. SPAN>

Synthesis method

None yet

Purpose

Organic synthesis. Biochemical research.

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