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3,4-Dimethoxybenzoic acid

5月 17th, 2024 News

3,4-dimethoxybenzoic acid structural formula

Structural formula

Business number 025Q
Molecular formula C9H10O4
Molecular weight 182.17
label

3,4-Dimethoxybenzoic acid,

veratrid acid,

3,4-dimethoxyformic acid,

3,4-Dimethoxybenzoic acid,

3,4-dimethoxybenzoic acid,

veratrumenoic acid,

3,4-Dimethylprotocatechuic acid

Numbering system

CAS number:93-07-2

MDL number:MFCD00002500

EINECS number:202-215-7

RTECS number:DG8598750

BRN number:518285

PubChem number:24893253

Physical property data

1. Character:Acicular or prismatic crystals. Odorless. Can sublimate (rhombus crystal)


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


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


4. Melting point (ºC): 180?181? (anhydrous).


5. Boiling point (ºC,Normal pressure):272


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 partition coefficient (water): undetermined


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


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


19. Solubility: Soluble in ether, benzene and carbon disulfide, slightly soluble in ethanol, almost insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 46.53


2. Molar volume (m3/mol):149.9


3. isotonic specific volume (90.2K):382.7


4. Surface Tension (dyne/cm):42.4


5. Polarizability?10-24cm3):18.44

Compute chemical data

1 , Reference value for hydrophobic parameter calculation (XlogP): 1.6


2 , Number of hydrogen bond donors: 1


3 , Number of hydrogen bond acceptors: 4


4 , Number of rotatable chemical bonds: 3


5 , Number of tautomers:


6? Topological molecular polar surface area ( TPSA): 55.8


7 , Number of heavy atoms: 13


8 , Surface charge: 0


9 , Complexity: 181


10 , Isotope atomic number: 0


11 , Determine the number of atomic stereocenters: 0


12 , Uncertain number of atomic stereocenters: 0


13 , Determine the number of stereocenters of chemical bonds: 0


14 , Uncertain number of chemical bond stereocenters: 0


15 , Number of covalent bond units: 1


Properties and stability

None

Storage method

 ? This product should be sealed and stored in a cool, dry place away from light.

Synthesis method

None

Purpose

For organic synthesis.

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3,4-dimethoxybenzyl alcohol

5月 17th, 2024 News

3,4-dimethoxybenzyl alcohol structural formula

Structural formula

Business number 025M
Molecular formula C9H12O3
Molecular weight 168.19
label

3,4-dimethoxybenzyl alcohol,

veratryl alcohol,

Ververatrol,

3,4-Dimethoxyphenylmethyl alcohol,

(3,4-Dimethoxyphenyl)methanol

Numbering system

CAS number:93-03-8

MDL number:MFCD00004638

EINECS number:202-212-0

RTECS number:None

BRN number:639388

PubChem number:24893258

Physical property data

1. Properties: viscous oily liquid.

2. Density (g/mL, 25/4?): 1.157

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

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, normal pressure): 297

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

7. Refractive index: 1.5520

8. Flash point (ºC): >112

9. Specific 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. Log value of oil-water (octanol/water) partition coefficient: Undetermined

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

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

19. Solubility: Soluble in organic solvents such as ethanol and ether.

Toxicological data

None

Ecological data

Water hazard level 1 (self-assessment via list) is slightly hazardous to water.

Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways, or sewage systems.

Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 46.06

2. Molar volume (cm3/mol): 151.2

3. Isotonic specific volume (90.2K ): 374.1

4. Surface tension (dyne/cm): 37.4

5. Polarizability (10-24cm3): 18.26

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 0.6

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Mutual Number of isomers:

6. Topological molecular polar surface area (TPSA): 38.7

7. Number of heavy atoms: 12

8. Surface charge : 0

9. Complexity: 127

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13. The number of determined chemical bond stereocenters: 0

14. The number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be kept sealed.

Synthesis method

None

Purpose

Used in organic synthesis as a protective group for guanosine residues in oligonucleotide synthesis.

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3,3′,5-triiodo-L-thyronine sodium salt

5月 15th, 2024 News

3,3',5-triiodo-L-thyronine sodium salt structural formula

Structural formula

Business number 016Q
Molecular formula C15H12I3NO4Na
Molecular weight 672.96
label

Triiodothyronine sodium salt,

Liothyronine,

T3, O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine sodium salt

Numbering system

CAS number:55-06-1

MDL number:MFCD00002594

EINECS number:200-223-5

RTECS number:None

BRN number:8179867

PubChem number:24889594

Physical property data

1. Character:Crystal.


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


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


4. Melting point (ºC): Undetermined


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


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


7. Refractive Index: Undetermined


8. Flashpoint (ºC): 205


9. Specific optical rotation (º): Undetermined


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


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


12. Saturation 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 partition coefficient (water): undetermined


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


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


19. Solubility: Undetermined.

Toxicological data

None

Ecological data

None

Molecular structure data

None

Compute chemical data

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


2. Number of hydrogen bond donors: 2


3. Number of hydrogen bond acceptors: 5


4. Number of rotatable chemical bonds: 5


5. Number of tautomers: 3


6. Topological molecular polar surface area (TPSA):95.6


7. Number of heavy atoms: 24


8. Surface charge: 0


9. Complexity: 408


10. Number of isotope atoms: 0


11. Determine the number of atomic stereocenters: 1


12. The number of uncertain atomic stereocenters: 0


13. Determine the number of stereocenters of chemical bonds: 0


14. Uncertain number of chemical bond stereocenters: 0


15. Number of covalent bond units: 2

Properties and stability

None

Storage method

This product should be sealed in0?Save in a dry place and away from light.

Synthesis method

None

Purpose

Biochemical research. Tissue culture media.

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