Structural formula
| Business number | 02Y8 |
|---|---|
| Molecular formula | C6H13N |
| Molecular weight | 99 |
| label |
Aminocyclohexane, Hexahydroaniline, cyclohexylamine, Hexahydroaniline, Aminocyclohexane, Aminocyclohexane L, Cyclohexylamine, carbonate, cyclohexylamine, 1-Aminocyclohexane, 1-Cyclohexylamine, Aminocyclohexane, Aminohexahydrobenzene, Ester cyclic compounds and their derivatives |
Numbering system
CAS number:108-91-8
MDL number:MFCD00001486
EINECS number:203-629-0
RTECS number:GX0700000
BRN number:471175
PubChem ID:None
Physical property data
1. Properties: colorless to yellow liquid with strong ammonia smell. [1]
2. pH value: 10.5 (1% solution) [2]
3. Melting point (℃ ): -17.7[3]
4. Boiling point (℃): 134.5[4]
5. Relative density (Water=1): 0.86[5]
6. Relative vapor density (air=1): 3.42[6]
7. Saturated vapor pressure (kPa): 1.2 (20℃)[7]
8. Critical pressure (MPa): 4.2[8]
9. Octanol/water partition coefficient: 1.49[9]
10. Flash point (℃): 26 (CC)[10]
11. Ignition temperature (℃): 293[11]
12. Explosion upper limit (%) : 9.4[12]
13. Lower explosion limit (%): 1.5[13]
14. Solubility: Soluble in water and miscible in most organic solvents. [14]
Toxicological data
1. Acute toxicity[15]
LD50: 11mg/kg (rat oral); 227mg/kg (rabbit transdermal)
LC50: 7750mg/m3 (rat inhalation)
2. Irritation [16] Human transdermal: 125mg (48h), severe irritation.
3. Mutagenicity[17] DNA inhibition: human Hela cells 100μg/L. Dominant lethality test: 500mg/kg in the abdominal cavity of mice. Cytogenetic analysis: human leukocytes 10 μmol/L (5h).
4. Carcinogenicity[18] IARC Carcinogenicity Comment: G3, insufficient evidence of carcinogenicity to humans and animals .
5. Others[19] Rat oral lowest toxic dose (TDLo): 5600mg/kg (male (administered 4 weeks before mating) will have an impact on sperm. The lowest oral toxic dose in mice (TDLo): 600mg/kg (administered on 6th to 11th day of pregnancy), death after blastocyst implantation.If �� rises, the fetal rat will die.
Ecological data
1. This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies. Inhalation of vapor can cause acute poisoning. It is irritating and corrosive to skin, eyes and mucous membranes, and can cause allergies through skin absorption.
2. Ecotoxicity[20]
LC50: 90mg/ L (96h) (rainbow trout, static);
EC50: 20mg/L (96h) (green algae); 80mg/L (24h) (water fleas)
3. Biodegradability[21] MITI-I test, initial concentration 100ppm, sludge concentration 30ppm, 61.1% degradation after 2 weeks.
4. Non-biodegradability[22] In the air, when the hydroxyl radical concentration is 5.00×105 pieces/cm3, the degradation half-life is 7h (theoretical).
Molecular structure data
1. Molar refractive index: 31.22
2. Molar volume (cm3/mol): 114.0
3. Isotonic specific volume (90.2K ): 270.1
4. Surface tension (dyne/cm): 31.4
5. Dielectric constant: None available
6. Polarizability: 12.37
7. Single isotope mass: 99.104799 Da
8. Nominal mass: 99 Da
9. Average mass: 99.1741 Da
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: 7
8. Surface charge: 0
9. Complexity: 46.1
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. Chemical properties: It has the chemical properties of primary amines. It is highly alkaline and absorbs carbon dioxide in the air to form white crystal carbonate. It can react with acid chlorides, acid anhydrides and esters to form N-acylates. Reacts with nitrous acid to produce alcohol. It reacts with formaldehyde in alkaline solution to form hydroxymethyl compounds. Reacts with carbon disulfide to form dithiocarbamic acid. Reacts with aldehydes to form Schiff base.
2. Cyclohexylamine is strongly alkaline and therefore irritates the skin and mucous membranes. Inhalation of vapors can cause nausea and anesthesia, and absorption through the skin can cause allergies. Mice inhaled LC1004.3mg/L and MLC0.1mg/L. The maximum allowable concentration in the air in the workplace is 1 mg/m3. The equipment must be sealed, the device must be ventilated, and the operators must wear protective equipment.
3. Stability[23] Stable
4. Incompatible substances[24] Acids, acid chlorides, acid anhydrides, strong oxidants
5. Conditions to avoid contact[25] Heating
6. Polymerization hazard[26] No polymerization
7. Decomposition products[27] Ammonia
Storage method
1. Storage precautions [28] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 30℃. Keep container tightly sealed. They should be stored separately from 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.
2. Cyclohexylamine is strongly alkaline and can absorb carbon dioxide in the air and quickly generate white crystalline carbonate. Therefore, the storage package should be tightly closed. Packed in iron drums, 150kg or 170kg per drum. Store in a cool, ventilated and dry place. Protect from the sun. Isolate heat and fire sources. Store and transport according to regulations for flammable and toxic chemicals.
Synthesis method
1. It is obtained by catalytic hydrogenation of aniline and can be divided into normal pressure method and pressurized method. In addition, cyclohexylamine can be prepared through catalytic ammonolysis of cyclohexane or cyclohexanol, reduction of nitrocyclohexane, and catalytic ammonolysis of cyclohexanone in the presence of hydrogen.
Refining method: often contains impurities such as aniline and water. During refining, cyclohexylamine is first converted into hydrochloride and recrystallized with water. After refining, it is extracted with diethyl ether in an alkaline solution, dried with solid potassium hydroxide, and distilled in a nitrogen flow. Aniline can be removed by distillation under a pressure of 4.65KPa.
2. Using nickel or cobalt as Catalyst is obtained by catalytic reduction of aniline under high temperature and high pressure. Cyclohexanol can also be obtained by catalytic reduction of phenol, oxidized to cyclohexanone, and then amination with ammonia to obtain cyclohexylamine.
Purpose
1. This product is used to prepare cyclohexanol, caprolactam, cellulose acetate and nylon 6, etc. Cyclohexylamine itself is a solvent and can be used in resins, coatings, fats, and paraffin oils. It can also be used to prepare desulfurizers, rubber antioxidants, vulcanization accelerators, chemical additives for plastics and textiles, boiler water treatment agents, metal corrosion inhibitors, emulsifiers, preservatives, antistatic agents, latex coagulants, and petroleum additives. , fungicides, insecticides and dye intermediates. The sulfonate of cyclohexylamine is used as an artificial sweetener in food, beverages and medicine. Also used as acid gas absorbent.
2. Used as boiler feed water ph value regulator. Cyclohexylamine is a volatile substance and can easily reach the entire system after addition. If the pH is lower than 8.5, it will be detrimental to the treatment effect of cyclohexylamine.
3. It is an intermediate for the synthesis of desulfurizers, rubber accelerators, dyes, antistatic agents, corrosion inhibitors, pesticides, fungicides, insecticides, etc.
4. Used as boiler water treatment agent and corrosion inhibitor, rubber accelerator, and organic synthesis intermediate. [29]
, antistatic agents, latex coagulants, petroleum additives, fungicides, pesticides and dye intermediates. The sulfonate of cyclohexylamine is used as an artificial sweetener in food, beverages and medicine. Also used as acid gas absorbent.
2. Used as boiler feed water ph value regulator. Cyclohexylamine is a volatile substance and can easily reach the entire system after addition. If the pH is lower than 8.5, it will be detrimental to the treatment effect of cyclohexylamine.
3. It is an intermediate for the synthesis of desulfurizers, rubber accelerators, dyes, antistatic agents, corrosion inhibitors, pesticides, fungicides, insecticides, etc.
4. Used as boiler water treatment agent and corrosion inhibitor, rubber accelerator, and organic synthesis intermediate. [29]
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