CAS No.3007-75-8,N,N-DI-N-OCTYLANILINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3007-75-8
Name:	N,N-DI-N-OCTYLANILINE
Article Data:	12

Formula:	C₂₂H₃₉N
Molecular Weight:	317.558
Synonyms:	N,N-Dioctylbenzenamine;
Density:	0.885 g/cm³
Boiling Point:	414.1 °C at 760 mmHg
Flash Point:	167 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	3.24000
LogP:	7.21400

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Specification

The Benzenamine,N,N-dioctyl-, with the CAS registry number of 3007-75-8, is also known as N,N-Dioctylbenzenamine. This chemical's molecular formula is C₂₂H₃₉N and molecular weight is 317.55. What's more, its IUPAC name is N,N-Dioctylaniline. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the Benzenamine,N,N-dioctyl- are: (1)ACD/LogP: 9.77; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.92; (4)ACD/LogD (pH 7.4): 9.73; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 702084.38; (8)ACD/KOC (pH 7.4): 4547823; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 105.42 cm³; (15)Molar Volume: 358.5 cm³; (16)Surface Tension: 34 dyne/cm; (17)Density: 0.885 g/cm³; (18)Flash Point: 167 °C; (19)Enthalpy of Vaporization: 66.7 kJ/mol; (20)Boiling Point: 414.1 °C at 760 mmHg; (21)Vapour Pressure: 4.55E-07 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Aniline with 1-Bromo-octane. The reaction needs reagent Na₂CO₃ and solvent Butan-1-ol. The reaction time is 24 h with reaction temperature of 100 °C. The yield is about 65 %.

The Benzenamine,N,N-dioctyl- can be obtained by Aniline and 1-Bromo-octane

Uses: it is used to produce other chemicals. For example, it is used to produce 1-Chloro-2-(p-dioctylaminophenyl)cyclobutene 3,4-dione. This reaction needs reagent AlCl₃. Meanwhile, it needs solvent CH₂Cl₂. The reaction time is 1 h. The yield is about 30.5 %.

The Benzenamine,N,N-dioctyl- can react with Dichloro-cyclobutenedione to get 1-Chloro-2-(p-dioctylaminophenyl)cyclobutene 3,4-dione

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: N(c1ccccc1)(CCCCCCCC)CCCCCCCC
(2) InChI: InChI=1/C22H39N/c1-3-5-7-9-11-16-20-23(22-18-14-13-15-19-22)21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21H2,1-2H3
(3) InChIKey: PTRSTXBRQVXIEW-UHFFFAOYAW