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111-92-2

Basic Information
CAS No.: 111-92-2
Name: Di-n-Butylamine
Article Data: 199
Molecular Structure:
Molecular Structure of 111-92-2 (Di-n-Butylamine)
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: HarmfulXn
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
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    Dibutylamine

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    Product description: Product name Dibutylamine CAS number 111-92-2 Assay ≥99% Appearance Colorless transparent liquid Capacity 1000mt/year Application Petroleum additives, ru

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    Di-n-butylamine, 98% 111-92-2

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Consensus Reports

n-Dibutylamine(111-92-2) is reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Standards and Recommendations

DOT Classification:  8; Label: Corrosive, Flammable Liquid

Specification

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,