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N,N-Dibutylaniline

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Name

N,N-Dibutylaniline

EINECS 210-335-6
CAS No. 613-29-6 Density 0.906 g/cm3
PSA 3.24000 LogP 4.09320
Solubility Insoluble in water Melting Point -32 °C
Formula C14H23N Boiling Point 274.8 °C at 760 mmHg
Molecular Weight 205.343 Flash Point 117.5 °C
Transport Information N/A Appearance clear yellow-brown to reddish-brown liquid
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 613-29-6 (N,N-DIBUTYLANILINE) Hazard Symbols IrritantXi
Synonyms

Aniline,N,N-dibutyl- (6CI,7CI,8CI);1,4-Bis(2-butylamino)benzene;Dibutylaniline;N,N-Dibutylaniline;N,N-Dibutylbenzenamine;N-Phenyldibutylamine;

Article Data 133

N,N-Dibutylaniline Specification

The N,N-Dibutylaniline with the CAS number 613-29-6 is also called Benzenamine,N,N-dibutyl-. Its molecular formula is C14H23N. The EINECS registry number is 210-335-6. This chemical belongs to the following product categories: (1)D; (2)Stains and Dyes; (3)Stains&Dyes, A to. This chemical is clear yellow-brown to reddish-brown liquid.

The properties of the N,N-Dibutylaniline are: (1)ACD/LogP: 5.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.68; (4)ACD/LogD (pH 7.4): 5.48; (5)ACD/BCF (pH 5.5): 1335.07; (6)ACD/BCF (pH 7.4): 8517.74; (7)ACD/KOC (pH 5.5): 3476.58; (8)ACD/KOC (pH 7.4): 22180.59; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 68.36 cm3; (15)Molar Volume: 226.4 cm3; (16)Polarizability: 27.1×10-24cm3; (17)Surface Tension: 34.2 dyne/cm; (18)Enthalpy of Vaporization: 51.32 kJ/mol; (19)Vapour Pressure: 0.00529 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of 1-bromo-butane and N-butyl-aniline. This reaction needs heating. The reaction time is 30 hours.

Uses: This chemical can react with dichloro-cyclobutenedione to prepare 1-chloro-2-(p-dibutylaminophenyl)cyclobutene-3,4-dione. This reaction needs reagent Et3N and solvent CH2Cl2 at temperature of 20 °C. The yield is 22%.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N(c1ccccc1)(CCCC)CCCC
(2)InChI: InChI=1/C14H23N/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
(3)InChIKey: FZPXKEPZZOEPGX-UHFFFAOYAI

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