BDMAEE

Structural formula

Business number	02XR
Molecular formula	C8H11N
Molecular weight	121.18
label	1-Amino-3,5-xylene, 5-amino-m-xylene, 5-Amino-m-xylene, 3,5-Dimethylaniline, 1-Amino-3,5-dimethylbenzene, Nitrogen-containing compound solvents, stabilizer, analytical reagents, aromatic compounds

• 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:108-69-0

MDL number:MFCD00007813

EINECS number:203-607-0

RTECS number:ZE9625000

BRN number:507051

PubChem number:24848222

Physical property data

1. Properties: yellow oily liquid.

2. Density (g/mL, 20/4℃): 0.9706

3. Melting point (ºC): 7~9.8

4. Boiling point ( ºC, normal pressure): 220.5~221

5. Refractive index (20ºC): 1.5578

6. Flash point (ºC): 93

7. Flash point (ºC): 317

8. Explosion upper limit (%, V/V): 7.0

9. Explosion lower limit (%, V/V): 1.0

10. Solubility: Slightly soluble in water, soluble in ethanol, ether, chloroform, benzene and acid solutions.

Toxicological data

1. Acute toxicity: Rat oral LD50: 707mg/kg; Mouse oral LD50: 421mg/kg;

2. Mutagenicity: Microbial Salmonella typhimurium mutation: 1mg/plate ;

3. Its toxicity is similar to that of aniline, forming methemoglobin, causing tissue hypoxia, and causing damage to the central nervous system, cardiovascular system and other organs. Strong damage to the central nervous system and liver. It has a weak effect on blood and can also cause dermatitis.

Ecological data

This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies. Since it is alkaline, special attention should also be paid to plants. Special attention should also be paid to vegetables, soil and water organisms.

Molecular structure data

1. Molar refractive index: 40.13

2. Molar volume (cm³/mol): 124.2

3. Isotonic specific volume (90.2K ): 308.3

4. Surface tension (dyne/cm): 37.9

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 15.91

Compute chemical data

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

2.�Number of � bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Mutator variation Number of structures: None

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 80.6

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain stereocenters of atoms: 0

13. The number of determined stereocenters of chemical bonds: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with strong oxides. Steam and air can form explosive mixtures, which may cause combustion and explosion hazards when exposed to open flames or high heat.

2. Exist in mainstream smoke.

3. Highly toxic!

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None

Purpose

Used as intermediates, solvents, stabilizers and analytical reagents in the dye, pigment and pharmaceutical industries.

Structural formula

Business number	029U
Molecular formula	C8H11N
Molecular weight	121.18
label	1-amino-2,5-xylene, p-dimethylaniline, 2,5-Dimethylaniline, 1-Amino-2,5-dimethylbenzene, 2,5-Dimethylbenzenamine

• 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:95-78-3

MDL number:MFCD00007743

EINECS number:202-451-0

RTECS number:ZE9100000

BRN number:2205178

PubChem number:24846569

Physical property data

1. Properties: Colorless or light yellow oily liquid, which forms crystals at low temperatures. ^[1]

2. Melting point (℃): 15.5^[2]

3. Boiling point (℃): 214 ~217^[3]

4. Relative density (water = 1): 0.98^[4]

5. Relative Vapor density (air=1): 4.18^[5]

6. Saturated vapor pressure (kPa): 1.33 (97℃)^[6]

7. Octanol/water partition coefficient: 1.83~2.21^[7]

8. Flash point (℃): 93.89^{[8 ]}

9. Explosion upper limit (%): No information yet

10. Explosion lower limit (%): 1.5^[9]

11. Solubility: insoluble in water, slightly soluble in alcohol, soluble in ether and chloroform. ^[10]

Toxicological data

1. Acute toxicity: rat oral LD50: 1297mg/kg; mouse oral LD50: 841mg/kg;

2. Other multiple dose toxicity: rat oral TDLo: 13300mg/ kg/4W-I;

3. Mutagenicity

Mutation of microorganism Salmonella typhimurium: 10μmol/plate;

DNA synthesis in rat liver: 10μmol /L;

Oral DNA inhibition in mice: 200 mg/kg;

4. Acute toxicity ^[11] LD50: 1120mg/kg (rat oral)

5. Irritation No information available

Ecological data

1. Ecotoxicity^[12] IC50: 5mg/L (72h) (algae)

2. Biodegradability No data yet

3. Non-biodegradability^[13] In the air, when the hydroxyl radical concentration is 5.00×105 pieces/cm³, the degradation half-life is 2h (theoretical).

4. Other harmful effects ^[14] This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.

Molecular structure data

1. Molar refractive index: 40.20

2. Molar volume (cm³/mol): 119.9

3. Isotonic specific volume (90.2K ): 306.6

4. Surface tension (dyne/cm): 42.7

5. Polarizability (10-24cm3): 15.94

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: 0

5.Number of tautomers: None

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 90.6

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 number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. The color gradually becomes darker in light and air. Can evaporate with steam.

2. Stability^[15] Stable

3. Incompatible substances^[16] Acids, acid chlorides, acid anhydrides, strong oxidants, chloroform, halogens

4. Conditions to avoid contact ^[17] Heating

5. Polymerization hazard^[18] No polymerization

Storage method

Storage Precautions^[19] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. They should be stored separately from oxidants, acids, halogens, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

It is produced by nitration and reduction of p-xylene.

Purpose

1. Used in pharmaceutical and dye industries. ^[20]