CAS No.4107-98-6,N,N-Diisopropylaniline Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4107-98-6
Name:	N,N-Diisopropylaniline
Article Data:	30

Formula:	C₁₂H₁₉N
Molecular Weight:	177.29
Synonyms:	N,N-dipropan-2-ylaniline;Benzenamine, N,N-bis(1-methylethyl)-;
Density:	0.912 g/cm³
Melting Point:	-45°C (estimate)
Boiling Point:	241.4 °C at 760 mmHg
Flash Point:	97.4 °C
Hazard Symbols:
Risk Codes:	36/37/38
Safety:	26-36
PSA:	3.24000
LogP:	3.30980

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Specification

The N,N-Diisopropylaniline with its cas register number is 4107-98-6. It also can be called as Benzenamine, N,N-bis(1-methylethyl)- and the IUPAC Name about this chemical is N,N-di(propan-2-yl)aniline. It belongs to the following product categories, such as Amines, C₁₁ to C₃₈, Nitrogen Compounds and so on.

Physical properties about N,N-Diisopropylaniline are: (1)ACD/LogP: 4.09; (2)ACD/LogD (pH 7.4): 3.36; (3)ACD/BCF (pH 5.5): 4.49; (4)ACD/BCF (pH 7.4): 140.02; (5)ACD/KOC (pH 5.5): 23.8; (6)ACD/KOC (pH 7.4): 742.79; (7)#H bond acceptors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 3.24Å²; (10)Index of Refraction: 1.519; (11)Molar Refractivity: 59.01 cm³; (12)Molar Volume: 194.2 cm³; (13)Polarizability: 23.39x10^-24cm³; (14)Surface Tension: 32.3 dyne/cm; (15)Enthalpy of Vaporization: 47.84 kJ/mol; (16)Vapour Pressure: 0.0359 mmHg at 25°C.

Preparation: this chemical can be prepared by diisopropylamine and bromobenzene. This reaction will need reagent 30 percent lithium in mineral oil and solvent tetrahydrofuran. The reaction time is 6 hour(s) at Ambient temperature. The yield is about 78%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)N(C1=CC=CC=C1)C(C)C
(2)InChI: InChI=1S/C12H19N/c1-10(2)13(11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3
(3)InChIKey: OVSARSKQWCLSJT-UHFFFAOYSA-N