Rubiacin

Rubicin structural formula

Structural formula

Business number 01H2
Molecular formula C14H8O4
Molecular weight 240.21
label

1,2-dihydroxy-9,10-anthracenedione,

1,2-Hydroxyanthraquinone,

Alizarin,

1,2-dihydroxy,

1,2-dihydroxyricinone,

1,2-Dihydroxyanthraquinone,

1,2-Dihydroxy-9,10-anthracenedione,

Mordant Red 11,

Pigment red 83,

Anti-inflammatory

Numbering system

CAS number:72-48-0

MDL number:MFCD00001201

EINECS number:200-782-5

RTECS number:CB6580000

BRN number:1914037

PubChem number:24845856

Physical property data

1. Properties: orange-red crystal or ocher yellow powder

2. Density (g/mL, 20/4?): 1.06

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

4. Melting point (ºC): 289.5

5. Boiling point (ºC, normal pressure): 430SU

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

7. Refractive index: Uncertain

8. Flash point (ºC): 430 (subl.)

9. Specific optical rotation (º): Uncertain

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

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

12. Saturation 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) distribution coefficient: Uncertain

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

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

19. Solubility: Easily soluble in hot methanol and ether at 25°C. Soluble in benzene, glacial acetic acid, pyridine, carbon disulfide, slightly soluble in water

Toxicological data

Acute toxicity: oral LD50 of wild birds: 316 mg/kg; mutagenicity: Salmonella Mutation in microorganismsTEST SYSTEM: 100 ug/plate; Bacillus subtilis DNA repairTEST SYSTEM: 2 mg/disc; Rat liver Unscheduled DNA synthesisTEST SYSTEM: 10 mg /L; Salmonella Mutation in microorganismsTEST SYSTEM: 100 ug/plate;

Ecological data

None

Molecular structure data

1. Molar refractive index: 62.43

2. Molar volume (cm3/mol): 155.9

3. Isotonic specific volume (90.2K ): 465.2

4. Surface tension (dyne/cm): 79.2

5. Polarizability (10-24cm3): 24.74

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 16

6. Topological molecule polar surface area 74.6

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 378

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

1. Stable properties under normal temperature and pressure.

2. It is irritating. When using, avoid inhaling the dust of this product and avoid contact with eyes and skin.

Storage method

1. Seal and store.

Synthesis method

1. In nature, alizarin is found in the roots of madder. Melt anthraquinone-2-sulfonic acid with caustic soda and potassium chlorate or potassium nitrate, then pour the melt into hot water, and then use hydrochloric acid to precipitate alizarin: 9g potassium chlorate, 30g anthraquinone-2-sulfonate Dissolve sodium acid and 110g of sodium hydroxide in 110ml of water, and heat and react 25g in an autoclave at 170°C. After cooling, the reaction product was extracted with water several times, 150 ml each time. The water extract was filtered, and the filtrate was acidified with hydrochloric acid. After cooling, the precipitated precipitate is suction-filtered, washed, and dried to obtain about 20g of alizarin.

Purpose

1. Acid-base indicator. Used as drip reagent for aluminum, indium, mercury, zinc and zirconium. Stain for in vivo staining of nervous tissue and protozoa.

2.Rubicin has an inhibitory effect on the growth of Staphylococcus aureus and can inhibit the permeability of rat skin connective tissue. It is similar to rutin. Similar, may have anti-inflammatory effects. It can be safely used as cosmetic coloring and lipstick coloring without any side effects. Combined with some phenolic hydroxyl groups and aniline derivatives, it can be used as a non-irritating oxidative hair dye additive to make the color soft and lasting.

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Methoxychlorine

Methoxychlorine structural formula

Structural formula

Business number 01H1
Molecular formula C16H15Cl3O2
Molecular weight 345.65
label

1,1,1-Trichloro-2,2-bis-p-methoxyphenylethane,

1,1,1-Trichloro-2,2-bis(4-methoxyphenyl)ethane,

methoxychlor,

Marlate,Metox,

1,1,1-Trichloro-2,2-di(4-methoxyphenyl)ethane,

2,2-Bis(4-methoxyphenyl)-1,1,1-trichloroethane,

DMDT,

Organochlorine pesticides

Numbering system

CAS number:72-43-5

MDL number:MFCD00000803

EINECS number:200-779-9

RTECS number:KJ3675000

BRN number:2057367

PubChem number:24896655

Physical property data

1. Properties: The original drug is white or creamy yellow block or flake solid

2. Density (g/mL, 25/4?): 1.41

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

4. Melting point (ºC): 86-88 (pure product), industrial product is about 77?

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

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

7. Refractive index: Uncertain

8. Flash point (ºC): 11

9. Specific rotation (º): Uncertain

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

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. Log value of oil-water (octanol/water) partition coefficient: Uncertain

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

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

19. Solubility: Easily soluble in benzene, xylene and other organic solvents, soluble in ethanol and petroleum, insoluble in water (0.1mg /L)

Toxicological data

Acute oral administration in ratsLD50 > 10000mg/kg (6000mg/kg), acute oral administration in rats SkinLD50 >10000mg/kg. The no-effect dose in rats was 500 mg/kg for 30 days, and the no-effect dose in the 2-year feeding test was 200 mg/kg. The no-effect dose in the 1-year feeding test for dogs was 300 mg/kg. Animal tests showed no teratogenic, carcinogenic, or mutagenic effects. MallardLD50 >2000mg /kg > Crane and quail > 5000mg /kg > Pheasant > 5000mg /kg. Rainbow cicadaLC50 is 45?g/L (24h), bee LDS . It is 165.5?g/piece.

Ecological data

None

Molecular structure data

None

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: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 18.5

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 279

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

Mildly irritating to rabbit skin and eyes.

Storage method

Store in a cool, ventilated and dry place, and do not mix with food, feed, beverages and other items.

Synthesis method

Prepared from the condensation of anisole and trichloroacetaldehyde.

Methoxychlor is produced by condensing anisole and trichloroacetaldehyde in the presence of fuming sulfuric acid or aluminum trichloride.

Purpose

1. An organochlorine pesticide. This product is a non-systemic contact and stomach poisoning insecticide with slight aphidicide or acaricidal activity. Its biological activity range is roughly the same as that of DDT. Because it has little or no tendency to accumulate in body fat or be secreted into milk, it is recommended for fly control in dairies and dairy cows. This product can also be used to prevent and control household sanitary pests, animal ectoparasites, vegetable and fruit tree pests, replacing DDT. The maximum allowable residual amount is: 2 mg/kg for grain, 14 mg/kg for fruit trees, and 100 mg/kg for feed. The ban period before harvest is 7 to 21 days. For example, when using 25% EC to control poplar loopers and aphid weevils in poplar and jujube trees, spray at 625 to 1250 mg/L.

2.Organochlorine pesticides. It has contact and stomach poisoning effects, no systemic effect, wide insecticidal spectrum, low toxicity to humans and animals, no cumulative effect in the organism, and is easily decomposed by multifunctional oxidase and converted into water-soluble non-toxic excreta. It can be used for field crops, fruit trees, vegetables and other crops to control corn borers, bridge-building insects, bean beetles, pea weevils, fruit tree borers, codling moths, Japanese beetles, small weevils, canopy caterpillars, and fruitFlies, leafhoppers, stink bugs, vegetable leaf flea beetles, diamondback moths, cucumbers, seed flies and other pests. It can also be used to control ectoparasites and sanitary pests in livestock.

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Acre hydrochloride

Aka hydrochloride structural formula

Structural formula

Business number 01H0
Molecular formula C4H7ClN4O
Molecular weight 162.58
label

4-amino-5-amine carbonyl hydrochloride,

4-Aminoimidazole-5-carbonamide hydrochloride,

Acre hydrochloride,

4-Amino-5-imidazolecarboxamide hydrochloride,

AICA,

4-Amino-5-imidazolecarboxamidhydrochloride,

4-Aminoimidazole-5-carboxamide hydrochoride

Numbering system

CAS number:72-40-2

MDL number:MFCD00012704

EINECS number:200-778-3

RTECS number:NI3911000

BRN number:3701645

PubChem number:24891305

Physical property data

1. Properties: White needle-like crystals.

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

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

4. Melting point (ºC): 255-256 (decomposition)

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

6. Boiling point (ºC, 5.2 kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

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

19. Solubility: Soluble in water.

Toxicological data

Mutation in microorganismsTEST SYSTEM: 10 mmol/L/20H;

Ecological data

None

Molecular structure data

1. Molar refractive index: 31.94

2. Molar volume (cm3/mol): 81.9

3. Isotonic specific volume (90.2K ): 715.8

4. Surface tension (dyne/cm): 103.2

5. Polarizability (10-24cm3): 12.66

Compute chemical data

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

2. Number of hydrogen bond donors: 4

3. Hydrogen bondNumber of receptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 13

6. Topological molecules Polar surface area 97.8

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 126

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

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

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 2

Properties and stability

Storage method

Store in a sealed, cool and dry place.

Synthesis method

None

Purpose

1. Pharmaceutical intermediates. Used in the production of nitridine and acarmine. Biochemical research. Nucleic acid synthesis.

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