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2-Aminophenol hydrochloride

4月 26th, 2024 News

2-aminophenol hydrochloride structural formula

Structural formula

Business number 014J
Molecular formula C6H7NOHCl
Molecular weight 145.59
label

O-aminophenol hydrochloride,

2-aminophenol hydrochloride,

O-hydroxyaniline hydrochloride,

O-aminophenol hydrochloride,

2-Hydroxyaniline hydrochloride,

o-Aminophenol hydrochloride,

o-Hydroxy aniline hydrochloride

Numbering system

CAS number:51-19-4

MDL number:MFCD00035471

EINECS number:None

RTECS number:SJ6069000

BRN number:None

PubChem number:24851822

Physical property data

1. Properties: white crystal. It easily turns gray when exposed to light.

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

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

4. Melting point (ºC): 207

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

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

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

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: Easily soluble in water and ethanol. Soluble in ammonia.

Toxicological data

1. Acute toxicity: mouse intravenous LD50: 460mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 32.37

2. Molar volume (cm3/mol): 90.1

3. Isotonic specific volume (90.2K ): 248.1

4. Surface tension (dyne/cm): 57.4

5. Polarizability (10-24cm3): 12.83

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: 7

6. Topological molecule polar surface area 46.2

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 74.9

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14. Uncertain chemical bond stereocenters Number of centers: 0

15. Number of covalent bond units: 2

Properties and stability

1. Harmful if inhaled, taken orally or in contact with skin.

Storage method

This product should be sealed and stored away from light.

Synthesis method

None

Purpose

1. Organic synthesis. Dye intermediates. Dye skin, fur and hair.

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o-aminophenylene ether

4月 26th, 2024 News

Structural formula of o-aminophenylene ether

Structural formula

Business number 0282
Molecular formula C8H11NO
Molecular weight 137.18
label

O-ethoxyaniline,

2-Aminophenylene ether,

2-Ethoxyaniline,

o-aminophenylene ether,

O-phenylacetine,

o-Ethoxy aniline,

2-Aminophenetole,

2-ethoxy-Benzenamine,

2-Phenetidine,

o-phenetidine,

C2H5OC6H4NH2

Numbering system

CAS number:94-70-2

MDL number:MFCD00007689

EINECS number:202-356-4

RTECS number:SI6465300

BRN number:637069

PubChem ID:None

Physical property data

1. Properties: colorless oily liquid.

2. Density (g/mL, 20?): 1.051

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

4. Melting point (ºC): -20

5. Boiling point (ºC, normal pressure): 228

6. Boiling point (ºC, 1.87KPa): 127-128

7. Refractive index: 1.5550

8. Flash point (ºC): 80

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg, 67ºC): 1

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 alcohol, ether and dilute acid, insoluble in water.

Toxicological data

1. Acute toxicity: Mouse oral LDLo: 600mg/kg; Rabbit oral LD50: 600mg/kg;

Ecological data

This substance is harmful to the environment and it is recommended not to let it enter the environment. Special attention should be paid to the pollution of water bodies.

Molecular structure data

1. Molar refractive index: 41.80

2. Molar volume (cm3/mol): 132.2

3. Isotonic specific volume (90.2K ): 329.5

4. Surface tension (dyne/cm): 38.5

5. Polarizability (10-24cm3): 16.57

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: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 35.2

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 95.3

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

It quickly turns brown when exposed to light and air. Avoid contact with oxides, air, and light.

Storage method

Stored sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep away from light. Keep away from fire sources and store away from oxidants and air.

Synthesis method

The reaction of nitrochlorobenzene with ethanol and caustic soda produces o-nitrophenylethyl ether ([610-67-3]), which is then reduced to obtain o-ethoxyaniline.

Purpose

Used as intermediates for dyes, spices and medicines.

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2-methylformanilide

4月 26th, 2024 News

2-methylformanilide structural formula

Structural formula

Business number 0281
Molecular formula C8H9NO
Molecular weight 135.17
label

N-formyl o-toluidine,

Carboxamido-o-toluene,

2-Methyl-N-formanilide,

o-Formotoluidide,

N-(2-Methylphenyl)formamide,

N-Formyl-o-toluidide,

HCONHC6H4CH3

Numbering system

CAS number:94-69-9

MDL number:MFCD00014122

EINECS number:202-355-9

RTECS number:None

BRN number:2205748

PubChem number:24881406

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 20?): 1.0948

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

4. Melting point (ºC): 14-15

5. Boiling point (ºC, normal pressure): 243

6. Boiling point (ºC, 2.0KPa): 128-129

7. Refractive index: 1.5589

8. Flash point (ºC): 126

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg, 85ºC): 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: Soluble in ethanol, ether and acetone, slightly soluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 40.87

2. Molar volume (cm3/mol): 122.4 ±

3. Isotonic specific volume (90.2 K): 312.6

4. Surface tension (dyne/cm): 42.4

5. Polarizability (10-24cm3): 16.20

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: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 2

6. Topological molecule polar surface area 29.1

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 114

10. Number of isotope atoms: 0

11. Determine the atomic stereocenterQuantity: 0

12. Uncertain number of stereocenters of atoms: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain chemical bonds Number of stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

1. Obtained from the reaction of N-formanilide and dimethyl sulfate. Mix N-formanilide and dimethyl sulfate, add potassium hydroxide solution dropwise while stirring and cooling, and control the temperature below 15°C. After the dropwise addition is completed, continue stirring for 1 hour at 20-25°C. The reaction mixture becomes slightly alkaline. Slowly add concentrated ammonia solution dropwise to decompose excess dimethyl sulfate. Then let it stand for layering, take the upper oil and distill it under reduced pressure, and collect the 130-133°C (2.13kPa) fraction, which is N-methylformanilide, with a yield of about 90%.

2. Obtained from the reaction of N-methylaniline and formic acid. Mix N-methylaniline, formic acid and toluene, heat and distill, and after steaming out the water, raise the temperature to 108-110°C to steam out the toluene. The residue is distilled under reduced pressure to obtain the finished product.

Purpose

Used as intermediates in organic synthesis.

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