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| CAS No.: | 33228-45-4 |
|---|---|
| Name: | 4-HEXYLANILINE |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C12H19N |
| Molecular Weight: | 177.29 |
| Synonyms: | Aniline,p-hexyl- (7CI,8CI);4-Hexylaniline;4-Hexylbenzenamine;4-Hexylphenylamine;4-n-Hexylaniline;p-Hexylaniline;p-n-Hexylaniline; |
| EINECS: | 251-409-8 |
| Density: | 0.93 g/cm3 |
| Melting Point: | -45°C (estimate) |
| Boiling Point: | 283.822 °C at 760 mmHg |
| Flash Point: | 121.362 °C |
| Solubility: | Insoluble in water. |
| Appearance: | clear yellow to red liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 26.02000 |
| LogP: | 3.97280 |
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Specification
The Benzenamine, 4-hexyl-, with the CAS registry number 33228-45-4, is also known as Aniline, (p-hexyl)-. It belongs to the product categories of Alkyl; Alkylanilines; Anilines (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials; Amines; C11 to C38; Nitrogen Compounds. Its EINECS registry number is 251-409-8. This chemical's molecular formula is C12H19N and molecular weight is 177.28596. Its IUPAC name is called 4-hexylaniline. This chemical's classification code is Drug / Therapeutic Agent. What's more, the product should be sealed and stored in cool, dry and well-ventilated place.
Physical properties of Benzenamine, 4-hexyl-: (1)ACD/LogP: 4.08; (2)ACD/LogD (pH 5.5): 3.962; (3)ACD/LogD (pH 7.4): 4.079; (4)ACD/BCF (pH 5.5): 566.52; (5)ACD/BCF (pH 7.4): 740.125; (6)ACD/KOC (pH 5.5): 3012.15; (7)ACD/KOC (pH 7.4): 3935.194; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.527; (12)Molar Refractivity: 58.57 cm3; (13)Molar Volume: 190.558 cm3; (14)Surface Tension: 36.644 dyne/cm; (15)Density: 0.93 g/cm3; (16)Flash Point: 121.362 °C; (17)Enthalpy of Vaporization: 52.277 kJ/mol; (18)Boiling Point: 283.822 °C at 760 mmHg; (19)Vapour Pressure: 0.003 mmHg at 25°C.
Preparation of Benzenamine, 4-hexyl-: this chemical can be prepared by 1-(4-nitrophenyl)hexane. This reaction will need reagents palladium/charcoal and ethanol.
Uses of Benzenamine, 4-hexyl-: it can be used to produce 1-(4-hexyl-phenyl)-piperidin-4-one with 1,5-dichloro-pentan-3-one by heating. This reaction will need reagent Na2CO3 and solvent methanol with reaction time of 1.5 hours. The yield is about 60%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCC1=CC=C(C=C1)N
(2)InChI: InChI=1S/C12H19N/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6,13H2,1H3
(3)InChIKey: OVEMTTZEBOCJDV-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 500mg/kg (500mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 153, 1947. |