p-Nitrophenylazoresorcinol

Structural formula of p-nitrophenylazoresorcinol

Structural formula

Business number 01HH
Molecular formula C12H9N3O4
Molecular weight 259.22
label

Try Magnesium Spirit,

azo violet,

Oxygen violet,

2,4-dihydroxy-4′-nitroazobenzene,

4-(4-Nitrophenylazo)resorcinol,

p-nitroazobenzeneresorcinol,

4-(p-Nitrophenylazo)resorcinol,

4-(4-Nitrophenylazo)resorcinol,

p-Nitroazobenzene-2,4-diol,

4-(4′-Nitrophenylazo)resorcinol,

2,4-Dihydroxy-4′-nitroazobenzene,

O2NC6H4N=NC6H3-1,3-(OH)2

Numbering system

CAS number:74-39-5

MDL number:MFCD00007310

EINECS number:200-808-5

RTECS number:VH2810000

BRN number:674709

PubChem number:24847188

Physical property data

1. Properties: reddish-brown powder

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

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

4. Melting point (ºC): 195-200 (dec.)(lit.)

5. Boiling point (ºC, normal pressure): No Confirm

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

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain Determine

9. Specific rotation (º): Uncertain

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

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

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

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

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

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

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility: Soluble in dilute alkali, it turns red-purple, slightly soluble in boiling fermentation, acetone, acetic acid and toluene, all turn yellow, insoluble in water

Toxicological data

Acute toxicity: rat oral LD50: >500 mg/kg;

Ecological data

Generally speaking, it is not harmful to water bodies

Do not use it without government permission.Discharge material into surrounding environment.

Molecular structure data

1. Molar refractive index: 66.22

2. Molar volume (cm3/mol): 178.1

3. Isotonic specific volume (90.2K ): 504.3

4. Surface tension (dyne/cm): 64.2

5. Polarizability (10-24cm3): 26.25

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 1.9

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 12

6. Topological molecular polar surface area (TPSA): 105

p>

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 468

10. Number of isotope atoms : 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the chemical bond configuration Number of centers: 1

14. 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

Dissolve 138g of p-nitroaniline in 250ml of hot concentrated hydrochloric acid, cool to 0-5°C, and add dropwise a saturated aqueous solution containing 85g of nitrous acid while stirring, with the temperature not exceeding 5°C. Then 100g of resorcinol and dilute alkali solution were added to this diazonium salt solution. The coupling product is filtered, dried, and recrystallized with alcohol to obtain p-nitrophenylazoresorcinol.

Purpose

Reagent for measuring magnesium, adsorption indicator

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Iopanoic acid

Iopanoic acid structural formula

Structural formula

Business number 02BK
Molecular formula C11H12I3NO2
Molecular weight 570.93
label

2-ethyl-3-(3-amino-2,4,6-triiodobenzene)propionic acid,

3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic Acid,

2-(3-Amino-2,4,6-triiodobenzyl)butyric Acid,

3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropionic Acid

Numbering system

CAS number:96-83-3

MDL number:MFCD00038687

EINECS number:202-539-9

RTECS number:MW5075000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: White or milky white powder, almost odorless, with a slight special odor.

2. Density (g/mL, 20?): Undetermined

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

4. Melting point (ºC): 153

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

6. Boiling point (ºC, KPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, ºC): Not determined

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) distribution coefficient: Undetermined

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

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

19. Solubility: Soluble in sodium hydroxide or sodium carbonate solution, 95% ethanol , chloroform or ether, insoluble in water.

Toxicological data

1. Acute toxicity: Male oral TDLo: 86mg/kg/1W-I; Female oral TDLo: 60mg/kg; Rat oral LD50: 1540mg/kg; Rat peritoneal cavity LD50: 1520mg/kg; Rat intravenous Injection LD50: 280mg/kg; mouse oral LD50: 6600mg/kg; mouse peritoneal cavity LD50: 1230mg/kg; mouse intravenous injection LD50: 320mg/kg; 2. Reproductive toxicity: rats 1-22 days after conception Oral TDLo: 2200mg/kgSEX/DURATION;

Ecological data

None

Molecular structure data

1. Molar refractive index: 94.18

2. Molar volume (cm3/mol): 235.2

3. Isotonic specific volume (90.2K ): 675.0

4. Surface tension (dyne/cm): 67.7

5. Polarizability (10-24cm3): 37.33

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.9

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 63.3

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 277

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

Storage method

None

Synthesis method

It is obtained by condensation, reduction, acidification and iodination of m-nitrobenzaldehyde (see C7H5NO3, [99-61-6]). 1. Condensation Add n-butyric anhydride and dry sodium n-butyrate into a dry reaction pot, stir and heat to remove moisture. Add m-nitrobenzaldehyde and react at 135-140°C for about 7 hours. Cool and place in ice water to precipitate a dark brown precipitate. Filter and wash away the coke oil to obtain the crude condensate. Dissolve it in dilute ammonia water, heat and decolorize the white clay with activated carbon under stirring, filter the filtrate and crystallize it with dilute sulfate. Filter, wash the filter cake with water, and dry to obtain m-nitro-?-ethylcinnamic acid (C11H11NO4), which is a light yellow crystal with a melting point of 141-143°C and a yield of more than 70%. 2. Recovery and acidification. Dissolve m-nitro-?-ethylcinnamic acid in sodium hydroxide solution, heat to 75°C, gradually add aluminum-nickel alloy and aluminum powder while stirring, and control the temperature at 80-84°C. After the addition is completed, continue the insulation reaction for 0.5h. After reaching the end point, filter. The filtrate is acidified with hydrochloric acid to precipitate precipitate and filtered. The filter cake is m-amino-?-ethylphenylpropionic acid hydrochloride (C11H15NO2·HCL). 3. Iodination: Add dichloroethane to the aqueous solution of m-amino-?-ethylphenylpropionic acid, and add iodic acid monochloride solution under stirring to react. The crude product obtained is refined with dichloroethane to obtain iopanoic acid.

Purpose

This product is a diagnostic drug.

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1,3-diphenyl-1,1,3,3-tetramethyldisiloxane

1,3-diphenyl-1,1,3,3-tetramethyldisiloxane  Structural formula

Structural formula

Business number 017E
Molecular formula C16H22OSi2
Molecular weight 286.52
label

1,1,3,3-Tetramethyl-1,3-diphenyldisiloxane

Numbering system

CAS number:56-33-7

MDL number:None

EINECS number:200-265-4

RTECS number:JM9236000

BRN number:None

PubChem ID:None

Physical property data

None

Toxicological data

1, reproductive toxicity: oral administration to male rats TDLo: 700mg/kg7days before mating;

Ecological data

None

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 89.23


2. Molar volume (m3/mol):293.3


3. isotonic specific volume (90.2K):678.1


4. Surface Tension (dyne/cm):28.5


5. Polarizability?10-24cm3): 35.37

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 9.2

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 249

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

Storage method

None

Synthesis method

None

Purpose

None

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