CAS No.14309-92-3,N-benzyl-4-nitroaniline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14309-92-3
Name:	N-benzyl-4-nitroaniline
Article Data:	146

Formula:	C₁₃H₁₂N₂O₂
Molecular Weight:	228.25
Synonyms:	Benzylamine,N-(p-nitrophenyl)- (6CI,7CI,8CI);N-Benzyl-4-nitroaniline;N-Benzyl-p-nitroaniline;p-Nitro-N-benzylaniline;
EINECS:	238-249-4
Density:	1.258 g/cm³
Melting Point:	147 °C
Boiling Point:	392 °C at 760 mmHg
Flash Point:	190.9 °C
PSA:	57.85000
LogP:	3.80310

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Specification

The CAS register number of Benzenemethanamine,N-(4-nitrophenyl)- is 14309-92-3. It also can be called as p-Nitro-N-benzylaniline and the IUPAC name about this chemical is N-benzyl-4-nitroaniline. The molecular formula about this chemical is C₁₃H₁₂N₂O₂ and the molecular weight is 228.2466.

Physical properties about Benzenemethanamine,N-(4-nitrophenyl)- are: (1)ACD/LogP: 3.57; (2)ACD/LogD (pH 5.5): 3.57; (3)ACD/LogD (pH 7.4): 3.57; (4)ACD/BCF (pH 5.5): 306.22; (5)ACD/BCF (pH 7.4): 306.22; (6)ACD/KOC (pH 5.5): 2094.63; (7)ACD/KOC (pH 7.4): 2094.64; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 49.06 Å²; (12)Index of Refraction: 1.658; (13)Molar Refractivity: 66.89 cm³; (14)Molar Volume: 181.4 cm³; (15)Polarizability: 26.51x10^-24cm³; (16)Surface Tension: 54.8 dyne/cm; (17)Density: 1.258 g/cm³; (18)Flash Point: 190.9 °C; (19)Enthalpy of Vaporization: 64.17 kJ/mol; (20)Boiling Point: 392 °C at 760 mmHg; (21)Vapour Pressure: 2.36E-06 mmHg at 25 °C.

Preparation: this chemical can be prepared by benzaldehyde and 4-nitro-aniline. This reaction will need reagents of borane, triethylamine and solvents of acetic acid, CH₂Cl₂, tetrahydrofuran. The yield is about 76%.

Benzenemethanamine,N-(4-nitrophenyl)- can be prepared by benzaldehyde and 4-nitro-aniline.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(NCc1ccccc1)cc2
(2)InChI: InChI=1/C13H12N2O2/c16-15(17)13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14H,10H2
(3)InChIKey: QBSRKOBMKFOHOS-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C13H12N2O2/c16-15(17)13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14H,10H2
(5)Std. InChIKey: QBSRKOBMKFOHOS-UHFFFAOYSA-N