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| CAS No.: | 16245-79-7 |
|---|---|
| Name: | 4-N-OCTYLANILINE |
| Article Data: | 19 |
| Molecular Structure: | |
|
|
|
| Formula: | C14H23 N |
| Molecular Weight: | 205.343 |
| Synonyms: | Aniline,p-octyl- (6CI,7CI,8CI); 4-Octylaniline; 4-Octylphenylamine; 4-n-Octylaniline;p-Octylaniline; p-n-Octylaniline |
| EINECS: | 240-358-7 |
| Density: | 0.898 g/mL at 25 °C(lit.) |
| Melting Point: | 17°C |
| Boiling Point: | 310.5 °C at 760 mmHg |
| Flash Point: | 136.2 °C |
| Solubility: | Nonsoluble in water. Fully miscible with ethanol, acetone, toluene |
| Appearance: | Light yellow to tan-brown liquid, aromatic amine odor |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 26.02000 |
| LogP: | 4.75300 |
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| Conditions | Yield |
|---|---|
| With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate In tetrahydrofuran at 25℃; for 2h; Inert atmosphere; | 92% |
- 16245-79-7
4-octylaniline
| 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 | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In ethyl acetate under 3750.38 Torr; for 3h; | 66% |
| 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 | Yield |
|---|---|
| With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 85℃; for 5h; | A 30% B 48% |
| Conditions | Yield |
|---|---|
| With cobalt(II) chloride at 212℃; |
- 63884-78-6
4'-aminooctanoylphenone
- 16245-79-7
4-octylaniline
| Conditions | Yield |
|---|---|
| With hydrogenchloride; amalgamated zinc |
| 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 | Yield |
|---|---|
| Multistep reaction; | |
| Stage #1: Octylbenzene With aluminum (III) chloride; acetyl chloride Stage #2: Schmidt reaction; |
| Conditions | Yield |
|---|---|
| at 212℃; |
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Chemistry
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
Safety Profile
Hazard Codes: 
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
Specification
4-Octylaniline (CAS NO.16245-79-7) is also named as Benzenamine, 4-octyl- ; p-Octylaniline; 4-n-Octylaniline ; 4-Octylphenylamine .