BDMAEE

Structural formula

Business number	01NV
Molecular formula	C3H10N2
Molecular weight	74.12
label	1,2-diaminopropane, propylenediamine, 1,2-diaminepropane, 1,2-Diaminopropane, Diaminopropane, 1,2-Propanediamine, Nitrogen-containing compound solvents, Analytical reagents

• 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:78-90-0

MDL number:MFCD00008089

EINECS number:201-155-9

RTECS number:TX6650000

BRN number:605274

PubChem number:24847332

Physical property data

1. Properties: Colorless liquid, with ammonia odor and hygroscopicity. ^[1]

2. Melting point (℃): -37.2^[2]

3. Boiling point (℃): 119.5^[3]

4. Relative density (water = 1): 0.87^[4]

5. Relative vapor Density (air=1): 2.5^[5]

6. Saturated vapor pressure (kPa): 1.07 (20℃)^[6]

7. Heat of combustion (kJ/mol): -2511.9^[7]

8. Critical temperature (℃): 316.2^[8]

9. Critical pressure (MPa): 5.27^[9]

10. Octanol/water partition coefficient: -1.200^[10]

11. Flash point (℃): 33 (OC) ^[11]

12. Ignition temperature ( ℃): 360^[12]

13. Explosion upper limit (%): 16.9^[13]

14. Explosion Lower limit (%): 1.9^[14]

15. Solubility: easily soluble in water, soluble in acetone, benzene, chloroform and ethanol, etc. ^[15]

16. Refractive index (20ºC): 1.4460

17. Viscosity (mPa·s, 20ºC): 1.70

18. Specific rotation (º): [α]+29.78°

19. Conductivity (S/m, 25ºC): 10^-8~10^-10

20.pK_a (30ºC): 7.07

21. Volume expansion coefficient (K^-1,20ºC): 0.00107

Toxicological data

1. Acute toxicity^[16]

LD50: 2230mg/kg (rat oral); 500μl/kg (rabbit dermal )

2. Irritation ^[17]

Rabbit transdermal: 5mg (24h), severe irritation.

Rabbit eye: 87 mg, severe irritation.

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability No information available

4. Other harmful effects^[18] This substance is harmful to the environment and should be treated with special Pay attention to water pollution.

Molecular structure data

1. Molar refractive index: 22.97

2. Molar volume (cm³/mol): 85.7

3. Isotonic specific volume (90.2K ): 206.9

4. Surface tension (dyne/cm): 33.8

5. Polarizability (10^-24cm³): 9.10

Compute chemical data

1. Reference value for calculation of hydrophobic parameters (XlogP): -1.2

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

p>

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 52

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 20.9

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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. Its chemical properties are alkaline liquids with strong hygroscopicity. Chemical properties are similar to ethylenediamine. There are optical isomers, but they usually exist as racemates. It is highly alkaline and hygroscopic, and produces white smoke when in contact with air. In case of open flame, high heat or contact with oxidants, there is a risk of combustion and explosion. It decomposes when heated and releases toxic nitrogen oxide fumes. If exposed to high heat, the internal pressure of the container will increase and there is a risk of cracking and explosion.

2. This product is a flammable, toxic, strongly alkaline corrosive liquid. Vapors or liquids can irritate the skin and mucous membranes and can cause allergies and allergic reactions. Inhaling high concentrations of ethylenediamine vapor can cause asthmatic bronchitis, and in severe cases, fatal poisoning. Rats take LD501160mg/kg orally, mice take LD50448mg/kg orally. The maximum allowable concentration at the production site is 10×10-6. General concentrations can cause chronic poisoning to the lungs, liver, kidneys, etc. Production equipment should be sealed to prevent running, emitting, dripping and leaking. Operators should wear protective equipment and avoid direct contact. If it splashes on the skin, eyes, or nose, rinse with water or 2% boric acid solution and apply boric acid ointment. When inhaling vapor, move to fresh air and take a deep breath. In severe cases, seek medical treatment.

3. Stability^[19] Stable

4. Incompatible substances^[20] Acids, acid chlorides, acid anhydrides, strong oxidants, carbon dioxide

5. Conditions to avoid contact ^[21] Heating

6. Polymerization hazard^[22] No polymerization

Storage method

1. This product is a secondary flammable product and can be packaged in glass bottles, 0.5kg or 1.5kg per bottle, or in polyethylene plastic barrels, 5kg, 10kg and 20-25kg per barrel. It can also be packaged in iron drums or stainless steel drums treated with zinc phosphate film, 180kg and 200kg per drum, and can also be transported by truck. This product should be stored in an airtight container, moisture-proof, heat-proof, and isolated from acids.

2. Storage Precautions^[23] Stored in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 32°C and the relative humidity should not exceed 80%. Keep container tightly sealed. They should be stored separately from oxidants, acids, and food chemicals, and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Produced by ammoniation of 1,2-dichloropropane and liquid ammonia. Add 1,2-dichloropropane and 25% ammonia water to the reactor respectively, control the temperature at about 150°C, and maintain the pressure at 2.45MPa. After the ammoniation reaction is completed, the reaction solution is deaminated, neutralized with sodium hydroxide until alkaline, concentrated, desalted, and distilled, and the fraction above 112°C is cut into the finished product, with a yield of 65-70%.

Raw material consumption quota: 1,2-dichloropropane (60%) 8000kg/t, liquid ammonia (95%) 3000kg/t, sodium hydroxide (40%) 10000kg/t.

Refining method: Propylenediamine is prepared by heating 1,2-dichloropropane with ammonia in an ethanol solution, so it is often mixed with Impurities such as other amines and water. During refining, use metallic sodium, anhydrous calcium sulfate, etc. to dehydrate and then distill under reduced pressure. Toluene can also be used for azeotropic distillation and purification.

Purpose

1. Used in the production of mineral processing agents, metal passivators, resin curing agents for sailing, rubber vulcanization accelerators, and also used in dyes, electroplating and analytical reagents (testing of mercury, copper and silver). In the pharmaceutical industry, it is used to produce 1,2-propanediaminetetraacetic acid as an intermediate for the anticancer drug propylimine. This product is used as aerospace resin curing agent, rubber vulcanization accelerator, mineral processing agent, metal passivation agent, and also used as a manufacturing raw material for dyes, electroplating, etc. This product is also used as an analytical reagent. Used as a solvent for nitrocellulose, paint, vegetable oil, rosin, etc.

2. Used as aerospace resin curing agent, rubber vulcanization accelerator, mineral processing agent, metal passivation agent, and also used in dyes, electroplating, analytical reagents, etc.

3. Used as rubber accelerator, additive, solvent, analytical reagent, and in the manufacture of dyes, drugs, etc. ^[24]