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CAS No.: | 111-92-2 |
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Name: | Di-n-Butylamine |
Article Data: | 199 |
Molecular Structure: | |
Formula: | C8H19N |
Molecular Weight: | 129.246 |
Synonyms: | Di-n-butylamine;N,N-Di-n-butylamine;N,N-Dibutylamine;N-Butyl-1-butanamine;n-Dibutylamine; |
EINECS: | 203-921-8 |
Density: | 0.762 g/cm3 |
Melting Point: | -62 °C |
Boiling Point: | 163 °C at 760 mmHg |
Flash Point: | 41.1 °C |
Solubility: | soluble in water |
Appearance: | Clear liquid |
Hazard Symbols: | Xn |
Risk Codes: | 10-20/21/22 |
Safety: | 45-36/37/39-26-23 |
Transport Information: | UN 2248 8/PG 2 |
PSA: | 12.03000 |
LogP: | 2.56710 |
The n-Dibutylamine, with its cas registry number 111-92-2, has the IUPAC name of dibutylazanium. For being a kind of colourless liquid with an amine odour, it is soluble in water, aceton and benzene while extremely easily soluble in ethanol and diethyl ether. Besides, it is stable chemically while incompatible with strong oxidizing agents, most common metals, strong acids. What's more, its product categories are including Amines; C8; Nitrogen Compounds.
The physical properties of this chemical are as below: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.34; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 3.24; (13)Index of Refraction: 1.418; (14)Molar Refractivity: 42.7 cm3; (15)Molar Volume: 169.4 cm3; (16)Polarizability: 16.93×10-24 cm3; (17)Surface Tension: 24.8 dyne/cm; (18)Density: 0.762 g/cm3; (19)Flash Point: 41.1 °C; (20)Enthalpy of Vaporization: 39.96 kJ/mol; (21)Boiling Point: 163 °C at 760 mmHg; (22)Vapour Pressure: 2.1 mmHg at 25°C; (23)Exact Mass: 130.159575; (24)MonoIsotopic Mass: 130.159575; (25)Topological Polar Surface Area: 16.6; (26)Heavy Atom Count: 9; (27)Formal Charge: 1; (28)Complexity: 37.8.
Use of this chemical: n-Dibutylamine could react with thiirane to produce 2-dibutylamino-ethanethiol. And in this reaction, the reaction temperature is 90 - 100 ℃.
Production method of this chemical: butyraldehyde could react with butylamine to produce n-Dibutylamine. And in this reaction, the reagent is methanol and NH3.
As to its usage, it is widely applied in many ways. It could be used as the oil additives, rubber accelerator, mineral flotation agents, and corrosion inhibitors, and it could be used as the emulsifier, pesticides, inhibitor agent and dye; Besides, this chemical could aslo be usually used as a kind of organic synthesis raw material.
When you are dealing with this chemical, you should be careful. This chemical is harmful which may cause damage to health, and it is dangerous if by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible). Then do remember not to breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCCC[NH2+]CCCC
(2)InChI: InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3/p+1
(3)InChIKey: JQVDAXLFBXTEQA-UHFFFAOYSA-O
Below are the toxicity information of this chemical:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | oral | 230mg/kg (230mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(11), Pg. 21, 1975. | |
mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | United States Patent Document. Vol. #3816470, | |
mouse | LD50 | oral | 290mg/kg (290mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(11), Pg. 21, 1975. | |
rabbit | LD50 | skin | 770mg/kg (770mg/kg) | National Technical Information Service. Vol. OTS0535430, | |
rat | LCLo | inhalation | 500ppm/4H (500ppm) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
rat | LD50 | intraperitoneal | 110mg/kg (110mg/kg) | Office of Toxic Substances Report. Vol. OTS0515594, | |
rat | LD50 | oral | 189mg/kg (189mg/kg) | Revista de Chimie Vol. 36, Pg. 667, 1985. | |
rat | LD50 | subcutaneous | 494mg/kg (494mg/kg) | Office of Toxic Substances Report. Vol. OTS0515594, |