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| CAS No.: | 41492-05-1 |
|---|---|
| Name: | 1-Bromo-4-butylbenzene |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C10H13Br |
| Molecular Weight: | 213.117 |
| Synonyms: | 4-Butylbromobenzene;4-Butylphenyl bromide;4-n-Butylbromobenzene;p-Bromobutylbenzene;p-Butylbromobenzene;p-Butylphenyl bromide;4-Bromobutyl benzene; |
| EINECS: | 472-210-4 |
| Density: | 1.242 g/cm3 |
| Boiling Point: | 243.3 °C at 760 mmHg |
| Flash Point: | 109.8 °C |
| Solubility: | 450μg/L at 20℃ |
| Appearance: | clear colorless to yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39-36 |
| PSA: | 0.00000 |
| LogP: | 3.79170 |
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Specification
The Benzene,1-bromo-4-butyl-, with CAS registry number 41492-05-1, belongs to the following product categories: (1)4-Alkylbromobenzenes (Building Blocks for Liquid Crystals); (2)Building Blocks for Liquid Crystals; (3)Functional Materials; (4)Aryl; (5)C9 to C12; (6)Halogenated Hydrocarbons. This chemical is a kind of clear colorless to yellow liquid. And the main use of this chemical is for intermediates of liquid crystals.
Physical properties of Benzene,1-bromo-4-butyl-: (1)ACD/LogP: 5.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.04; (4)ACD/LogD (pH 7.4): 5.04; (5)ACD/BCF (pH 5.5): 4013.62; (6)ACD/BCF (pH 7.4): 4013.62; (7)ACD/KOC (pH 5.5): 13213.1; (8)ACD/KOC (pH 7.4): 13213.1; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 52.75 cm3; (15)Molar Volume: 171.4 cm3; (16)Polarizability: 20.91×10-24cm3; (17)Surface Tension: 33.9 dyne/cm; (18)Enthalpy of Vaporization: 46.09 kJ/mol; (19)Vapour Pressure: 0.0503 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-bromo-4-but-1-enyl-benzene. This reaction will need reagent hydrogen and solvent ethanol. The yield is about 96%.
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Uses of Benzene,1-bromo-4-butyl-: it can be used to produce tris-(4-butyl-phenyl)-phosphane. This reaction will need reagent phosphorus trichloride and solvent tetrahydrofuran. The yield is about 67%.
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When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-4-butyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)CCCC
(2)InChI: InChI=1/C10H13Br/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
(3)InChIKey: BRGVKVZXDWGJBX-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H13Br/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
(5)Std. InChIKey: BRGVKVZXDWGJBX-UHFFFAOYSA-N