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| CAS No.: | 16400-32-1 |
|---|---|
| Name: | 1-BROMO-2-PENTYNE |
| Article Data: | 40 |
| Molecular Structure: | |
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|
|
| Formula: | C5H7Br |
| Molecular Weight: | 147.015 |
| Synonyms: | 1-Bromo-2-pentyne;2-Pentynyl bromide; |
| EINECS: | 240-451-2 |
| Density: | 1.366g/cm3 |
| Boiling Point: | 142.5 °C at 760 mmHg |
| Flash Point: | 45.1 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 10 |
| Safety: | 26-36 |
| Transport Information: | UN 1993 |
| PSA: | 0.00000 |
| LogP: | 1.79470 |
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toluene-4-sulfonic acid pent-2-ynyl ester
- 16400-32-1
1-bromo-pent-2-yne
| Conditions | Yield |
|---|---|
| With N-benzyl-N,N,N-triethylammonium chloride; sodium bromide In dichloromethane; water for 6h; Ambient temperature; | 95% |
- 6261-21-8
2-pent-2-ynyloxy-tetrahydro-pyran
- 16400-32-1
1-bromo-pent-2-yne
| Conditions | Yield |
|---|---|
| With bromine; triphenylphosphine In dichloromethane | 87% |
- 6261-22-9
pent-2-yn-1-ol
- 16400-32-1
1-bromo-pent-2-yne
| Conditions | Yield |
|---|---|
| With pyridine; phosphorus tribromide In diethyl ether for 3h; Ambient temperature; | 84% |
| Stage #1: pent-2-yn-1-ol With pyridine; phosphorus tribromide In diethyl ether at -10 - 20℃; for 6h; Inert atmosphere; Reflux; Stage #2: hydroquinone In diethyl ether for 4.5h; Reflux; Inert atmosphere; | 84% |
| With pyridine; phosphorus tribromide In diethyl ether | 80% |
- 22592-15-0
1-chloropent-2-yne
- 16400-32-1
1-bromo-pent-2-yne
| Conditions | Yield |
|---|---|
| With lithium bromide In N,N-dimethyl-formamide at 60℃; for 72h; Substitution; | 51% |
- 18495-20-0
1-methoxy-2-pentyne
- 16400-32-1
1-bromo-pent-2-yne
| Conditions | Yield |
|---|---|
| With Acetyl bromide; zinc dibromide at 60 - 65℃; |
- 53799-89-6
tetra-N-methyl-phosphorodiamidic acid pent-2-ynyl ester
- 16400-32-1
1-bromo-pent-2-yne
| Conditions | Yield |
|---|---|
| With phosphorus tribromide In diethyl ether for 4h; Heating; |
| Conditions | Yield |
|---|---|
| at 0 - 5℃; |
- 16400-32-1
1-bromo-pent-2-yne
- 609-02-9
methyl-malonic acid dimethylester
- 863297-78-3
dimethyl methyl(2-pentynyl)malonate
| Conditions | Yield |
|---|---|
| Stage #1: methyl-malonic acid dimethylester With sodium hydride In tetrahydrofuran for 0.25h; Stage #2: 1-bromo-pent-2-yne In tetrahydrofuran at 0 - 20℃; | 100% |
- 16400-32-1
1-bromo-pent-2-yne
- 1609496-75-4
S-(2-bromo-5-hydroxybenzyl)ethanethioate
- 1609496-76-5
4-bromo-3-((pent-2-yn-1-ylthio)methyl)phenol
| Conditions | Yield |
|---|---|
| With potassium hydroxide In ethanol at 20℃; for 0.5h; | 100% |
- 16400-32-1
1-bromo-pent-2-yne
- 6089-04-9
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ethylmagnesium bromide
- 117606-23-2
2,5-octadiyn-1-ol tetrahydropyranyl ether
| Conditions | Yield |
|---|---|
| Stage #1: 3-(tetrahydropyran-2'-yloxy)propyne; ethylmagnesium bromide In tetrahydrofuran; diethyl ether for 0.5h; Inert atmosphere; Reflux; Stage #2: 1-bromo-pent-2-yne With copper(l) iodide In tetrahydrofuran; diethyl ether | 100% |
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Specification
The 2-Pentyne, 1-bromo-, with CAS registry number 16400-32-1, belongs to the following product categories: (1)Alkynyl; (2)Halogenated Hydrocarbons; (3)Organic Building Blocks. It has the systematic name of 1-bromopent-2-yne. And the chemical formula of this chemical is C5H7Br. What's more, its EINECS is 240-451-2.
Physical properties of 2-Pentyne, 1-bromo-: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 33.91; (6)ACD/BCF (pH 7.4): 33.91; (7)ACD/KOC (pH 5.5): 433.52; (8)ACD/KOC (pH 7.4): 433.52; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 30.95 cm3; (15)Molar Volume: 107.5 cm3; (16)Polarizability: 12.26×10-24cm3; (17)Surface Tension: 34.8 dyne/cm; (18)Density: 1.366 g/cm3; (19)Flash Point: 45.1 °C; (20)Enthalpy of Vaporization: 36.4 kJ/mol; (21)Boiling Point: 142.5 °C at 760 mmHg; (22)Vapour Pressure: 7 mmHg at 25°C.
Preparation: this chemical can be prepared by pent-2-yn-1-ol. This reaction will need reagent PBr3 and solvent diethyl ether.
When you are using this chemical, please be cautious about it as the following:
The 2-Pentyne, 1-bromo- is flammable. 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: BrCC#CCC
(2)InChI: InChI=1/C5H7Br/c1-2-3-4-5-6/h2,5H2,1H3
(3)InChIKey: VDHGRVFJBGRHMD-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C5H7Br/c1-2-3-4-5-6/h2,5H2,1H3
(5)Std. InChIKey: VDHGRVFJBGRHMD-UHFFFAOYSA-N