CAS No.28059-64-5,2-Benzylaniline Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	28059-64-5
Name:	2-Benzylaniline
Article Data:	49

Formula:	C₁₃H₁₃N
Molecular Weight:	183.253
Synonyms:	o-Toluidine,a-phenyl- (6CI,7CI,8CI);(2-Aminophenyl)phenylmethane;2-Benzylaniline;2-Benzylbenzenamine;o-Aminodiphenylmethane;o-Benzylaniline;
EINECS:	248-806-3
Density:	1.071 g/cm³
Melting Point:	49-54 °C(lit.)
Boiling Point:	311.727 °C at 760 mmHg
Flash Point:	159.695 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	26.02000
LogP:	3.44080

Synthetic route

: 5840-40-4
2-nitrodiphenylmethane

: 28059-64-5
2-benzylaniline

Conditions

Conditions	Yield
With hydrazine hydrate In methanol at 20℃; for 2h;	100%
With hydrazine hydrate In methanol at 20℃; for 2h;	100%
With hydrazine hydrate In methanol for 2h; Cooling with ice;	97.3%

: 2835-77-0
(2-aminophenyl)(phenyl)methanone

: 28059-64-5
2-benzylaniline

Conditions

Conditions	Yield
With potassium hydroxide In water at 50℃; for 4h; Reagent/catalyst; Temperature;	99.5%
With sodium In ethanol	90%
With ethoxyethoxyethanol; hydrazine hydrate; potassium hydroxide at 200℃; under 10343.2 Torr; Wolff-Kishner Reduction; Sonication;	82%

: 57479-65-9
2-amino-3'-chlorobenzophenone

: 28059-64-5
2-benzylaniline

Conditions

Conditions	Yield
With potassium hydroxide In water at 50℃; for 4h; Temperature;	99.5%

: 719-59-5
2-Amino-5-chlorobenzophenone

: 28059-64-5
2-benzylaniline

Conditions

Conditions	Yield
Stage #1: 5-chloro-2-aminobenzophenone With hydrogen; triethylamine; palladium 10% on activated carbon In DMF (N,N-dimethyl-formamide) at 30 - 45℃; under 22502.3 Torr; for 3h; Stage #2: With sodium hydroxide In DMF (N,N-dimethyl-formamide); water; toluene	94.6%
Stage #1: 5-chloro-2-aminobenzophenone With hydrogen; triethylamine; palladium 10% on activated carbon In tetrahydrofuran at 30 - 45℃; under 22502.3 Torr; for 1h; Stage #2: With sodium hydroxide In tetrahydrofuran; water; toluene	93.9%
Stage #1: 5-chloro-2-aminobenzophenone With hydrogen; triethylamine; palladium 10% on activated carbon In 1-methyl-pyrrolidin-2-one at 30 - 45℃; under 22502.3 Torr; for 2h; Stage #2: With sodium hydroxide In 1-methyl-pyrrolidin-2-one; water; toluene	92.9%

: 39093-44-2
2-aminobenzophenone hydrazone

: 28059-64-5
2-benzylaniline

Conditions

Conditions	Yield
With potassium hydroxide In 2-methoxy-ethanol at 60℃; Reagent/catalyst; Temperature; Solvent;	93.4%
With potassium hydroxide In diethylene glycol

: 40182-20-5
2-benzylbenzamide

: 28059-64-5
2-benzylaniline

Conditions

Conditions	Yield
With sodium hypochlorite In water at 60℃; for 7h; Temperature;	91.6%

: 17691-65-5
2-azidophenyl(phenyl)methane

A: 92-81-9
acridine

B: 28059-64-5
2-benzylaniline

Conditions

Conditions	Yield
With aluminium trichloride In dichloromethane Ambient temperature;	A 89% B 4%
With aluminium trichloride In dichloromethane Ambient temperature;	A 89% B 4%

: 2243-79-0
2-nitrobenzophenone

: 28059-64-5
2-benzylaniline

Conditions

Conditions	Yield
With potassium hydroxide; Raney Ni-Al alloy In water at 90℃; for 9h;	84.5%

: benzylzinc chloride-lithium chloride complex

: 615-36-1
2-bromoaniline

: 28059-64-5
2-benzylaniline

Conditions

Conditions	Yield
With 1-methyl-pyrrolidin-2-one; bis(acetylacetonate)nickel(II); triphenylphosphine In tetrahydrofuran at 60℃; for 0.5h; Inert atmosphere;	75%

: 17691-65-5
2-azidophenyl(phenyl)methane

A: 28059-64-5
2-benzylaniline

B: 81734-63-6
o-(n-Butylamino)diphenylmethane

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran at -78 - 20℃; for 3h;	A 72% B 7%

Total:87 Page 1 of 3 1 2 3 Next>>

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Specification

The Benzenamine,2-(phenylmethyl)-, with the CAS registry number 28059-64-5 and EINECS registry number 248-806-3, has the systematic name of 2-benzylaniline. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₃H₁₃N.

The characteristics of Benzenamine,2-(phenylmethyl)- are as followings: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 92.7; (6)ACD/BCF (pH 7.4): 98.33; (7)ACD/KOC (pH 5.5): 875.53; (8)ACD/KOC (pH 7.4): 928.68; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 59.8 cm³; (15)Molar Volume: 171.1 cm³; (16)Polarizability: 23.7×10^-24cm³; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.07 g/cm³; (19)Flash Point: 159.7 °C; (20)Enthalpy of Vaporization: 55.27 kJ/mol; (21)Boiling Point: 311.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000553 mmHg at 25°C.

Preparation of Benzenamine,2-(phenylmethyl)-: This chemical can be prepared by 2-amino-benzophenone. The reaction will need reagent Na, and the menstruum ethanol. And the yield is about 90%.

Uses of Benzenamine,2-(phenylmethyl)-: It can react with 2,2-dimethyl-propionyl chloride to produce N-(2-benzyl-phenyl)-2,2-dimethyl-propionamide. This reaction will need reagent sodium carbonate, and the menstruum CH₂Cl₂. The reaction time is 3 hours with ambient temperature, and the yield is about 30%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1(ccccc1)Cc2ccccc2N
(2)InChI: InChI=1/C13H13N/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10,14H2
(3)InChIKey: DWOBGCPUQNFAFB-UHFFFAOYAU