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4-pyridoxic acid

5月 9th, 2024 News

4-pyridoxic acid structural formula

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

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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haloperidol

5月 9th, 2024 News

Haloperidol structural formula

Structural formula

Business number 015P
Molecular formula C21H23ClFNO2
Molecular weight 375.86
label

haloperidol,

halopyridol,

1-(4-Fluorophenyl)-4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-butanone,

iohexol,

haloperidol,

4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4′-fluorobutyrophenone,

4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone,

4-[4-(4-Chlorophenyl)-4-hydroxypiperidino]-4′-fluorobut

Numbering system

CAS number:52-86-8

MDL number:MFCD00051423

EINECS number:200-155-6

RTECS number:EU1575000

BRN number:None

PubChem number:24277917

Physical property data

1. Characteristics: White or off-white crystalline powder. Odorless and tasteless.


2. Density ( g/mL,25/4??? Undetermined SPAN>


3. Relative steam Density (g/mL,AIR=1): Undetermined


4. Melting point ( ºC):148-149.4


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


6. Boiling point ( ºC, 13.33kpa):


7. Refractive index: Undetermined


8. Flashpoint (ºC): Undetermined


9. Specific optical activity Degree (º,?? Undetermined


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


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


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


13. Burning heat (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 ?Easily soluble in chloroform, methanol, acetone, benzene and dilute acid, solubility in water1.4mg/100ml.

Toxicological data

Moderately toxic, LD50 (rat, oral)165mg/kg.

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 101.01


2. Molar volume (m3/mol??303.2


3. Isotonic specific volume(90.2K)? 797.8


4. Surface Tension(dyne/cm)?47.9


5. Polarizability(10-24cm3)?40.04

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: 4

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: 2

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 26

8. Surface charge: 0

9. Complexity: 451

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

Should be sealed and stored away from light.

Synthesis method

By4-p-chlorobenzene-4-hydroxy piper and?–Chloro-p-fluorophenbutanone condensation And get. Intermediate?Chlorofluorobenzene is composed of fluorobenzene,?–Produced from butyrolactone and thionyl chloride.

Purpose

Antipsychotic drugs, formerly known as strong tranquilizers, are mainly used to control schizophrenia and other patients with hallucinations, delusions, Excitement, impulsiveness and other related diseases. Haloperidol is mainly used to combat mania and hallucinations in acute and chronic schizophrenia. It has a significant effect on controlling excitement and agitation, but it is ineffective in treating depression and apathy in schizophrenia.

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3,4-Dichlorophenol

5月 9th, 2024 News

3,4-dichlorophenol structural formula

Structural formula

Business number 029T
Molecular formula C6H4Cl2O
Molecular weight 163.00
label

3,4-dichlorophenol,

3,4-Dichlorophenol,

3,4-Dichloro-hydroxybenzene,

Cl2C6H3OH

Numbering system

CAS number:95-77-2

MDL number:MFCD00002258

EINECS number:202-450-5

RTECS number:SK8800000

BRN number:1907693

PubChem number:24894075

Physical property data

1. Properties: needle-like crystals.

2. Gas phase standard claims heat (enthalpy) (kJ·mol-1): -194.4

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

4. Melting point (ºC): 68

5. Boiling point (ºC, normal pressure): 145-146

6 . Boiling point (ºC, kPa): Not determined

7. Refractive index: Undetermined

8. Flash point (ºC): 252-255

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

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 in ethanol, ether and benzene.

Toxicological data

1. Acute toxicity: mouse oral LD50: 1685mg/kg;

Ecological data

This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.

Molecular structure data

1. Molar refractive index: 37.92

2. Molar volume (cm3/mol): 111.7

3. Isotonic specific volume (90.2K ): 294.0

4. Surface tension (dyne/cm): 47.8

5. Polarizability (10-24cm3): 15.03

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: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 3

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 97.1

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 stereocentersNumber: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxidants, acid anhydrides, and acid chlorides.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from oxidants, acid anhydrides and acid chlorides, 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

None yet

Purpose

Used as gas chromatography comparison sample and used in organic synthesis.

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