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2-amino-6-ethoxybenzothiazole

4月 25th, 2024 News

2-amino-6-ethoxybenzothiazole structural formula

Structural formula

Business number 027P
Molecular formula C9H10N2OS
Molecular weight 194.25
label

2-amino-6-ethoxybenzothiazole,

6-Ethoxy-2-benzothiazolamine,

2-Amino-6-ethoxybenzothiazole

Numbering system

CAS number:94-45-1

MDL number:MFCD00005788

EINECS number:202-333-9

RTECS number:None

BRN number:None

PubChem number:24890970

Physical property data

1. Properties: powder

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

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

4. Melting point (ºC): 160-163

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

6. Boiling point ( ºC, 8mmHg): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation (º): Not determined

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

11. Vapor pressure (mmHg, 25ºC): 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) partition coefficient: Undetermined

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

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

19. Solubility: Undetermined

Toxicological data

None

Ecological data

Slightly harmful to water.

Molecular structure data

1. Molar refractive index: 56.11

2. Molar volume (cm3/mol): 149.0

3. Isotonic specific volume (90.2K ): 410.7

4. Surface tension (dyne/cm): 57.6

5. Polarizability (10-24cm3): 22.24

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: 2

5. Number of tautomers: 2

6. Topological molecule polar surface area 76.4

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 179

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

Avoid contact with oxides.

Storage method

Store sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep away from sources of fire and store away from oxidizing agents.

Synthesis method

None

Purpose

None

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2,5-Dichlorobenzoic acid

4月 25th, 2024 News

2,5-Dichlorobenzoic acid structural formula

Structural formula

Business number 0146
Molecular formula C7H4Cl2O2
Molecular weight 191
label

2,5-Dichlorobenzoic acid,

Pesticides in Chinese (Simplified Chinese); Aliphatic carboxylic acids and their derivatives

Numbering system

CAS number:50-79-3

MDL number:MFCD00002416

EINECS number:200-065-7

RTECS number:DG6825000

BRN number:973353

PubChem number:24848693

Physical property data

1. Properties: White needle-like crystalline powder. Partially volatilized in steam.

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

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

4. Melting point (ºC): 154.4°C (lit.)

5. Boiling point (ºC, normal pressure): 301 °C (lit.)

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

7. Refractive index: Not determined

8. Flash point (ºC): 300-302°C

9. Specific rotation (º): Undetermined

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

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

12. Saturated vapor pressure (kPa, 60 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 and ether, soluble in hot water (<0.1 g/100 mL at 19 ºC).

Toxicological data

1. Acute toxicity: mouse subcutaneous LD50: 1200mg/kg; mouse intraperitoneal LD50: 237mg/kg 2. Mutagenicity: mutation testing system – not other specifiedTEST systems: bacteria – Salmonella typhimurium: 1mg/L

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: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 161

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. Uncertain chemical bond stereocenterAmount: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a dry place away from light. Storage and transportation according to regulations on toxic chemicals.

Synthesis method

1. Phosgene method: 2,5-dichlorobenzoyl chloride is obtained by reacting p-dichlorobenzene and phosgene, and then hydrolyzed.

2. The chloromethylation method is obtained by reacting p-dichlorobenzene with paraformaldehyde and then oxidizing it with potassium permanganate. The yield of chloromethylation of p-dichlorobenzene was 53.4%, and the yield of the third step oxidation reaction was 83%

3. The trichlorobenzene method uses 1,2,4-trichlorobenzene as raw material to prepare 2,5-dichlorobenzonitrile and then undergoes alkaline hydrolysis.

4. Benzoyl chloride method is obtained by chlorination and hydrolysis of benzoyl chloride. The chlorination temperature of benzoyl chloride is controlled between 35-45°C. The main component of the chloride obtained is 2,5-dichlorobenzoyl chloride (content 65%). Then, in the presence of concentrated sulfuric acid, it is chlorinated at 40-45°C. Hydrolyzed at 50?.

5. Dichlorobenzene carbon tetrachloride method.

Purpose

As an intermediate in organic synthesis. It is used to synthesize the herbicides legumin and dicaoping. This pesticide has less harmful effects and is not affected by rainy weather.

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p,p’-Didi Didi

4月 25th, 2024 News

p,p'-Didi structural formula

Structural formula

Business number 01H3
Molecular formula C14H10Cl4
Molecular weight 320.04
label

4,4-Didi Didi,

1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane,

2,2-Bis(4-chlorophenyl)-1,1-dichloroethane,

1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane,

p,p’-TDE,

2,2-Bis(4-chlorophenyl)-1,1-dichloroethane,

Organochlorine pesticides

Numbering system

CAS number:72-54-8

MDL number:MFCD00000851

EINECS number:200-783-0

RTECS number:KI0700000

BRN number:1914072

PubChem number:24891742

Physical property data

1. Character: white crystal

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

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

4. Melting point (ºC): 94-96

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

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

15. p>

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

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

19. Dissolution Properties: Soluble in ethanol and carbon tetrachloride

Toxicological data

Acute toxicity: Rat oral LD50: 113 mg/kg; Mouse oral LDLo: 600 mg/kg; Rabbit Administration onto the skin LD50: 1200 mg/kg; Hamster oral LD50: >5 mg/kg; tumorigenic : Rat oral TDLo: 54 gm/kg/78W-C; Mouse oral TDLo: 39 gm/kg/2Y-C;

Mutagenicity: Mouse embryo morphological transformation test system: 28400 nmol/L; Mouse Serratia marcescens host-mediated test system: 1500 mg/kg;

Ecological data

None

Molecular structure data

1. Molar refractive index: 79.65

2. Molar refractive index: 79.65

2.Volume (cm3/mol): 233.1

3. Isotonic volume (90.2K): 465.2

4. Surface tension (dyne/cm) : 44.6

5. Polarizability (10-24cm3): 31.57

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: 0

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 218

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

This product should be stored in a sealed, cool, dry and dark place.

Synthesis method

Prepared from o-bromochlorobenzene.

Purpose

Anti-neoplastic drugs used to treat adrenocortical cancer.

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