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| CAS No.: | 110-53-2 |
|---|---|
| Name: | 1-Bromopentane |
| Molecular Structure: | |
|
|
|
| Formula: | C5H11Br |
| Molecular Weight: | 151.046 |
| Synonyms: | 1-Pentyl bromide;Amyl bromide;NSC 7895;Pentyl bromide;n-Amyl bromide;n-Pentyl bromide; |
| EINECS: | 203-776-0 |
| Density: | 1.215 g/cm3 |
| Melting Point: | - 95 °C(lit.) |
| Boiling Point: | 129.3 °C at 760 mmHg |
| Flash Point: | 31.1 °C |
| Solubility: | practically insoluble in water |
| Appearance: | Colorless liquid |
| Hazard Symbols: |
 Xn, N
|
| Risk Codes: | 10-36/37/38-51/53-22 |
| Safety: | 26-36-61-37/39-29-16 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 0.00000 |
| LogP: | 2.57150 |
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| Conditions | Yield |
|---|---|
| With fac-[Mn(1,2-bis(di-isopropylphosphino)ethane)(CO)3(CH2CH2CH3)]; hydrogen In diethyl ether at 25℃; under 37503.8 Torr; for 18h; | 99% |
| Conditions | Yield |
|---|---|
| With t-butyl bromide; n-pentylmethylimidazolium bromide for 2h; sonication; | 82% |
| With sulfuric acid; hydrogen bromide at 120℃; for 10h; | 78% |
| With allyltriphenoxyphosphonium bromide at 20℃; | 47% |
| Conditions | Yield |
|---|---|
| With bromide; <p>-(CH2)3-<sup>+</sup>PBu3</p> In water at 110℃; for 100h; | 69% |
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride; titanium tetrachloride | A 26% B 41% |
- 56269-05-7
propyl dipentylarsinate
- 100-39-0
benzyl bromide
A
- 110-53-2
1-Bromopentane
C
- 75099-93-3
C12H18AsO2
D
- 75099-91-1
C15H25AsO2
| Conditions | Yield |
|---|---|
| at 160℃; for 2h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts; | A n/a B 17.18% C n/a D 33.92% |
- 56269-05-7
propyl dipentylarsinate
- 100-39-0
benzyl bromide
A
- 110-53-2
1-Bromopentane
C
- 75099-91-1
C15H25AsO2
D
- 75099-92-2
C19H25AsO2
| Conditions | Yield |
|---|---|
| at 160℃; for 2h; Yield given. Further byproducts given. Title compound not separated from byproducts; | A n/a B 17.18% C 33.92% D n/a |
| at 160℃; for 2h; Further byproducts given. Yields of byproduct given; | A n/a B 17.18% C 33.92% D n/a |
| at 160℃; for 2h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts; | A n/a B 17.18% C 33.92% D n/a |
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide; hydrogen fluoride at -15 - 0℃; for 4h; | A n/a B 17% |
| Conditions | Yield |
|---|---|
| ohne Loesungsmittel; | |
| With pentane |
| Conditions | Yield |
|---|---|
| With hydrogen bromide at 80 - 100℃; | |
| With hydrogen bromide |
| Conditions | Yield |
|---|---|
| With hydrogen bromide; acetic acid at 0℃; | |
| With hexane; hydrogen bromide at -10℃; |
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- Total:38 Page 1 of 1 1
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Consensus Reports
Specification
The IUPAC name of N-Amyl bromide is 1-bromopentane. With the CAS registry number 110-53-2, it is also named as 1-Pentyl bromide. The product's categories are organics; alkyl bromide; alkyl bromides; monofunctional & alpha,omega-bifunctional alkanes; monofunctional alkanes; bromine chemicals. It is colorless liquid which is insoluble in water, soluble in alcohol, and mixed with ether in any ratio. In addition, it is stable, flammable and incompatible with strong oxidizing agents, strong bases. People should store this chemical in a tightly closed container which should be stored in a cool, dry, well-ventilated area away from incompatible substances. N-Amyl bromide can be obtained by the reaction of amyl alcohol and hydrogen bromide.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.27; (4)ACD/LogD (pH 7.4): 3.27; (5)ACD/BCF (pH 5.5): 181.07; (6)ACD/BCF (pH 7.4): 181.07; (7)ACD/KOC (pH 5.5): 1438.03; (8)ACD/KOC (pH 7.4): 1438.03; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.443; (13)Molar Refractivity: 32.94 cm3; (14)Molar Volume: 124.2 cm3; (15)Polarizability: 13.06×10-24 cm3; (16)Surface Tension: 26.9 dyne/cm; (17)Enthalpy of Vaporization: 35.18 kJ/mol; (18)Vapour Pressure: 12.5 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 150.004413; (21)MonoIsotopic Mass: 150.004413; (22)Heavy Atom Count: 6.
Uses of N-Amyl bromide: It is used as intermediates of organic synthesis and solvent. And it is also used to synthesize drugs, dyes and spices. In addition, it reacts with acetic acid; sodium salt to get1-acetoxy-pentane. This reaction needs catalytic agent -(CH2)3-+PBu3 and solvent H2O at temperature of 110 °C. The reaction time is 8 hours. The yield is 70%.
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When you are using this chemical, please be cautious about it as the following:
It is flammable, so people should keep it away from sources of ignition. And it is harmful if swallowed and is irritating to eyes, respiratory system and skin. Furthermore, chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. Avoid releasing to the environment. Refer to special instructions / safety data sheets.
People can use the following data to convert to the molecule structure.
1. SMILES: BrCCCCC;
2. InChI: InChI=1/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3.
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LC50 | inhalation | 26800mg/m3 (26800mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(4), Pg. 55, 1974. | |
| mouse | LD50 | intraperitoneal | 1250mg/kg (1250mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(12), Pg. 52, 1976. |