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| CAS No.: | 30273-11-1 |
|---|---|
| Name: | 4-SEC-BUTYLANILINE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C10H15N |
| Molecular Weight: | 149.236 |
| Synonyms: | Aniline,p-sec-butyl- (7CI,8CI);(RS)-4-sec-Butylaniline;4-(1-Methylpropyl)aniline;4-Amino-sec-butylbenzene;4-sec-Butylaniline;4-sec-Butylbenzenamine;4-sec-Butylphenylamine;p-sec-Butylaniline;4-Butan-2-ylaniline; |
| EINECS: | 250-108-9 |
| Density: | 0.942 g/cm3 |
| Melting Point: | 1.08°C (estimate) |
| Boiling Point: | 244.2 °C at 760 mmHg |
| Flash Point: | 107.8 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 26.02000 |
| LogP: | 3.36350 |
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Specification
The Benzenamine,4-(1-methylpropyl)-, with the CAS registry number 30273-11-1, is also known as 4-sec-Butylbenzenamine. Its EINECS number is 250-108-9. This chemical's molecular formula is C10H15N and molecular weight is 149.23. What's more, its systematic name is 4-butan-2-ylaniline. It should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.
Physical properties of Benzenamine,4-(1-methylpropyl)- are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 2.8; (5)ACD/BCF (pH 5.5): 60.03; (6)ACD/BCF (pH 7.4): 79.63; (7)ACD/KOC (pH 5.5): 601.4; (8)ACD/KOC (pH 7.4): 797.78; (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: 1.535; (14)Molar Refractivity: 49.3 cm3; (15)Molar Volume: 158.2 cm3; (16)Polarizability: 19.54×10-24cm3; (17)Surface Tension: 36 dyne/cm; (18)Density: 0.942 g/cm3; (19)Flash Point: 107.8 °C; (20)Enthalpy of Vaporization: 48.12 kJ/mol; (21)Boiling Point: 244.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0308 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-sec-butyl-4-nitro-benzene. This reaction will need reagent H2 and solvent ethanol. This reaction will also need catalyst 10% Pd/C. The yield is about 88%.
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Uses of Benzenamine,4-(1-methylpropyl)-: it can be used to produce benzoic acid-(4-sec-butyl-anilide) at the temperature of 20 °C. It will need reagent poly(4-vinylpyridine) and solvent tetrahydrofuran. The yield is about 99%.
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When you are using this chemical, please be cautious about it as the following:
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. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C)C1=CC=C(C=C1)N
(2)InChI: InChI=1S/C10H15N/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8H,3,11H2,1-2H3
(3)InChIKey: NVVVQTNTLIAISI-UHFFFAOYSA-N