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Name	4-Octylaniline	EINECS	240-358-7
CAS No.	16245-79-7	Density	0.898 g/mL at 25 °C(lit.)
PSA	26.02000	LogP	4.75300
Solubility	Nonsoluble in water. Fully miscible with ethanol, acetone, toluene	Melting Point	17°C
Formula	C14H23 N	Boiling Point	310.5 °C at 760 mmHg
Molecular Weight	205.343	Flash Point	136.2 °C
Transport Information	N/A	Appearance	Light yellow to tan-brown liquid, aromatic amine odor
Safety	26-37/39	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	Aniline,p-octyl- (6CI,7CI,8CI); 4-Octylaniline; 4-Octylphenylamine; 4-n-Octylaniline;p-Octylaniline; p-n-Octylaniline	Article Data	19

4-Octylaniline Synthetic route

: C8H17ZnBr*LiCl

: 106-40-1
4-bromo-aniline

: 16245-79-7
4-octylaniline

Conditions

Conditions	Yield
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate In tetrahydrofuran at 25℃; for 2h; Inert atmosphere;	92%

: (E)-1-nitro-4-(oct-1-en-1-yl)benzene

: 16245-79-7
4-octylaniline

Conditions

Conditions	Yield
1% Pd/C In methanol at 20℃; for 2h; Inert atmosphere;	85%
With Pd-C In methanol	85%

: 326487-53-0
1-nitro-4-(oct-1-yn-1-yl)benzene

: 16245-79-7
4-octylaniline

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In ethyl acetate under 3750.38 Torr; for 3h;	66%

: 111-87-5
octanol

: 62-53-3
aniline

: 16245-79-7
4-octylaniline

Conditions

Conditions	Yield
With zinc(II) chloride at 255 - 258℃; for 21h;	48.7%
(i)CoCl2, (ii) aq. NH3; Multistep reaction;

: 30089-00-0
9-octyl-9-bora-bicyclo[3.3.1]nonane

: 17763-80-3
para-nitrophenyl triflate

A: 16245-79-7
4-octylaniline

B: 78723-40-7
1-(4-nitro-phenyl)-octane

Conditions

Conditions	Yield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 85℃; for 5h;	A 30% B 48%

: 3007-71-4
N-octylaniline

A: 16245-79-7
4-octylaniline

B: 4,N-dioctyl-aniline

Conditions

Conditions	Yield
With cobalt(II) chloride at 212℃;

: 63884-78-6
4'-aminooctanoylphenone

: 16245-79-7
4-octylaniline

Conditions

Conditions	Yield
With hydrogenchloride; amalgamated zinc

: 2189-60-8
Octylbenzene

A: 16245-79-7
4-octylaniline

B: 37413-50-6
2-octylaniline

Conditions

Conditions	Yield
With hydrogen; nitric acid; nickel 1) 96 percent H2SO4, 35 deg C to 45 deg C, 1.5 h, 2) 120 deg C, 100 atm, 2 h; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;

: 2189-60-8
Octylbenzene

: 16245-79-7
4-octylaniline

Conditions

Conditions	Yield
Multistep reaction;
Stage #1: Octylbenzene With aluminum (III) chloride; acetyl chloride Stage #2: Schmidt reaction;

: 3007-71-4
N-octylaniline

cobalt (II)-chloride: cobalt (II)-chloride

A: 16245-79-7
4-octylaniline

B: 4,N-dioctyl-aniline

C: 62-53-3
aniline

Conditions

Conditions	Yield
at 212℃;

4-Octylaniline Chemical Properties

Molecule structure of 4-Octylaniline (CAS NO.16245-79-7):

IUPAC Name: 4-Octylaniline
Molecular Weight: 205.33912 [g/mol]
Molecular Formula: C₁₄H₂₃N
Index of Refraction: 1.518
Molar Refractivity: 67.83 cm³
Molar Volume: 223.5 cm³
Surface Tension: 36.2 dyne/cm
Density: 0.918 g/cm³
Melting Point: 17°C
Flash Point: 136.2 °C
Enthalpy of Vaporization: 55.13 kJ/mol
Boiling Point: 310.5 °C at 760 mmHg
Vapour Pressure: 0.000598 mmHg at 25 °C
XLogP3: 5
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 7
Exact Mass: 205.18305
MonoIsotopic Mass: 205.18305
Topological Polar Surface Area: 26
Heavy Atom Count: 15
Complexity: 136
Canonical SMILES: CCCCCCCCC1=CC=C(C=C1)N
InChI: InChI=1S/C14H23N/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8,15H2,1H3
InChIKey: ORKQJTBYQZITLA-UHFFFAOYSA-N
EINECS: 240-358-7
Product Categories of 4-Octylaniline (CAS NO.16245-79-7): Anilines, Aromatic Amines and Nitro Compounds; Alkyl; Alkylanilines; Anilines (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials; Amines; C11 to C38; Nitrogen Compounds

4-Octylaniline Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3

4-Octylaniline Specification

4-Octylaniline (CAS NO.16245-79-7) is also named as Benzenamine, 4-octyl- ; p-Octylaniline; 4-n-Octylaniline ; 4-Octylphenylamine .

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