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2-amino-6-chlorobenzothiazole

5月 6th, 2024 News

2-amino-6-chlorobenzothiazole structural formula

Structural formula

Physical competition number 028U
Molecular formula C7H5ClN2S
Molecular weight 184.65
label

6-chloro-2-benzothiazolamin,

2-amino-6-chloro-benzothiazole,

6-Chloro-1,3-benzothiazol-2-amine

Numbering system

CAS number:95-24-9

MDL number:MFCD00053557

EINECS number:202-402-3

RTECS number:DL1575000

BRN number:None

PubChem number:24848253

Physical property data

1. Properties: white powder.

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

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

4. Melting point (ºC): 199-201

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

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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) distribution coefficient: Undetermined

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

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

19. Solubility: Undetermined

Toxicological data

1. Acute toxicity: Oral LD50 in mice: 398mg/kg; Intravenous LD50 in mice: 76mg/kg;

Ecological data

Slightly harmful to water.

Molecular structure data

1. Molar refractive index: 49.70

2. Molar volume (cm3/mol): 120.4

3. Isotonic specific volume (90.2K ): 350.1

4. Surface tension (dyne/cm): 71.3

5. Polarizability (10-24cm3): 19.70

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: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 67.2

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 155

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. TotalNumber of key 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 sealed. Keep away from sources of fire and store away from oxidizing agents.

Synthesis method

None

Purpose

For the synthesis of disperse dyes.

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5-Aminobenzimidazolones

5月 6th, 2024 News

5-aminobenzimidazolones structural formula

Structural formula

Physical competition number 028T
Molecular formula C7H7N3O
Molecular weight 149.15
label

5-amino-1,3-dihydro-2H-benzimidazol-2-one,

5-Aminobenzimidazolones,

5-amino-1,3-dihydro-2H-Benzimidazol-2-one

Numbering system

CAS number:95-23-8

MDL number:MFCD00053555

EINECS number:202-401-8

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character: light yellow or white crystal.

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

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

4. Melting point (ºC): 239-244

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

p>

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) distribution coefficient: 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

1. Molar refractive index: 40.26

2. Molar volume (cm3/mol): 109.3

3. Isotonic specific volume (90.2K ): 302.0

4. Surface tension (dyne/cm): 58.1

5. Polarizability (10-24cm3): 15.96

Compute chemical data

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

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 3

6. Topological molecule polar surface area 67.2

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 183

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

Benzimidazolone is produced by solid-phase reaction of o-phenylenediamine and urea at 150-250°C to deaminate the hydrogen ring, and then undergoes nitration and reduction to obtain it.

Purpose

Mainly used to prepare yellow to orange organic pigments.

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2-methylbenzoxazole

5月 6th, 2024 News

2-Methylbenzoxazole Structural Formula

Structural formula

Physical competition number 028S
Molecular formula C8H7NO
Molecular weight 133.15
label

2-methylbenzoxazole,

2-methylbenzoxazole,

2-methyl-Benzoxazole

Numbering system

CAS number:95-21-6

MDL number:MFCD00005771

EINECS number:202-399-9

RTECS number:DM4850000

BRN number:112297

PubChem number:24846841

Physical property data

1. Properties: colorless or light yellow liquid.

2. Density (g/mL, 20?): 1.1211

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

4. Melting point (ºC): 8-10

5. Boiling point (ºC, normal pressure): 200-201

6. Boiling point (ºC, KPa): Undetermined

7. Refractive index: 1.5479

8. Flash point (ºC): 75

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) distribution coefficient: Undetermined

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

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

19. Solubility: Easily soluble in ethanol and ether, insoluble in water.

Toxicological data

1. Skin/eye irritation

Standard Draize test: rabbit, skin contact: 2mg/24H, severity of reaction: severe.

Standard Draize test: Rabbit, eye contact: 250?g/24H, severity of reaction: severe.

2. Acute toxicity: Mouse oral LD40: 400mg/kg; Mouse oral LD50: 400mg/kg;

Ecological data

Slightly harmful to water.

Molecular structure data

1. Molar refractive index: 39.31

2. Molar volume (cm3/mol): 115.8

3. Isotonic specific volume (90.2K ): 296.8

4. Surface tension (dyne/cm): 43.1

5. Polarizability (10-24cm3): 15.58

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.2

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 126

10.The number of isotope atoms: 0

11. The number of determined atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Number of uncertain stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

Sensitive to light. Corrosive. Avoid contact with oxides and light.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep away from sources of fire. The packaging is sealed. should be kept away from oxidizer, do not store together. 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

Purpose

Organic synthesis, dye synthesis, pharmaceutical industry.

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