o-Methoxyaniline

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:90-04-0

MDL number:MFCD00007688

EINECS number:201-963-1

RTECS number:BZ5410000

BRN number:386210

PubChem number:24869734

Physical property data

1. Properties: light red or light yellow oily liquid, turns light brown when exposed to air.

2. Density (g/mL, 25/4℃): 1.0923

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

4. Melting point (ºC): 5~6

5. Boiling point (ºC, normal pressure): 224

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

7. Refractive index_(n²⁰_D) : 1.5730

8. Flash point (ºC): 98

9. Specific rotation (º): Undetermined

10. Spontaneous combustion Point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

12. Saturated vapor pressure (kPa, 60ºC): Not determined

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

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

19. Solubility: Soluble in dilute inorganic acids, ethanol, acetone, benzene and ether, slightly soluble in water .

Toxicological data

This product is highly toxic. Irritates skin and mucous membranes and causes allergies. The maximum allowable concentration in the air is 0.5mg/m3. For its toxicity and protective methods, please refer to Aniline and p-aminophenylene ether.

Acute toxicity:

�Cavity LD50 1400mg/kg(mus)

1150 mg/kg(rat)

870mg/kg(rbt)

Main irritant effects:

On the skin: General products can irritate the skin.

On eyes: May cause irritation.

Sensitization: No known sensitizing effects.

Ecological data

General remarks

Water hazard class 3 (German regulations) (self-assessment via list) This substance is extremely hazardous to water.

Do not allow this product to come into contact with groundwater, waterways or sewage systems, even in small amounts.

Even small amounts of product seeping into the ground can pose a hazard to drinking water

Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 37.16

2. Molar volume (cm³/mol): 115.7

3. Isotonic specific volume (90.2K ): 289.7

4. Surface tension (dyne/cm): 39.3

5. Polarizability (10^-24cm³): 14.73

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 35.2

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 85

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. This product is highly toxic. Irritates skin and mucous membranes and causes allergies. The maximum allowable concentration in the air is 0.5mg/m3. For its toxicity and protective methods, please refer to Aniline and p-aminophenylene ether.

2. It is unstable and can form polymers when exposed to air.

3. Found in burley tobacco leaves.

4. Suspected carcinogen.
　

Storage method

1. Packed in iron drums, 200kg per drum. Store in a dry, ventilated place, away from sunlight, moisture and heat. Store and transport according to regulations on flammable, toxic and dangerous goods.

Synthesis method

1. Obtained from the reduction of o-nitroanisole. o-Nitroanisole can be obtained by oxidation of o-nitrochlorotoluene [91-23-6]. The reducing agent can be sodium sulfide or iron powder. In addition, o-methoxyaniline can also be prepared from o-nitrophenol through methylation and reduction. Raw material consumption quota: o-nitrochlorobenzene 1301kg/t, methanol (98%) 395kg/t, sodium sulfide (60%) 1128kg/t, caustic soda (96%) 457kg/t.

2. Tobacco: BU, 14 .

Purpose

1. It can be used to prepare dyes such as azo dyes, ice dyes, and phenol AS-OL, as well as medicines such as guaiacol and amoxicillin. Vanillin, etc. can also be prepared.

2. Reagents for testing codeine and alkaloids. Dye intermediates. Such as disperse yellow brown S-3GL, acid yellow C.I.13200, acid red C.I.14710, 14905, 16151, acid brown C.I.17570, acid red 18025, 18133, 27180, direct dye C.I.17820, 17875, 27780, 28190, 29000, 29035, 29170, 29185, 29190, 29200, 31951, etc.

3. Used as spices and pharmaceutical intermediates.