- 1-BUTENE
- 1-Butene, 1-bromo-
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- 1-Butene,4,4,4-trimethoxy-
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Cas Database |
| Name |
1-Butene, 1-bromo- |
EINECS | 250-836-7 |
| CAS No. | 31844-98-1 | Density | 1.331 g/cm3 |
| PSA | 0.00000 | LogP | 2.30500 |
| Solubility | N/A | Melting Point |
-115.07°C (estimate) |
| Formula | C4H7Br | Boiling Point | 94.7 °C at 760 mmHg |
| Molecular Weight | 135.004 | Flash Point | 14.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Bromo-1-butene;1-Bromo-3-methylallene;(1E)-1-bromobut-1-ene;1-Bromobut-1-ene;1-Butene, 1-bromo-, (E)-; |
Article Data | 8 |
1-Butene, 1-bromo- Synthetic route
- 626-98-2, 13991-37-2, 16666-42-5
pent-2-enoic acid
- 31844-98-1
(E)/(Z)-1-bromo-1-butene
| Conditions | Yield |
|---|---|
| With [bis(acetoxy)iodo]benzene; tetraethylammonium bromide In dichloromethane at 20℃; for 10h; | 90% |
A
- 31844-98-1
(E)/(Z)-1-bromo-1-butene
| Conditions | Yield |
|---|---|
| With pyridine |
- 79912-57-5
acide dibromo-2,3 pentanoique
A
- 31844-98-1
(E)/(Z)-1-bromo-1-butene
B
- 98021-78-4
2-bromo-pent-2-enoic acid
| Conditions | Yield |
|---|---|
| With pyridine |
- 3675-68-1
butane, 1,1,2-tribromo-
- 31844-98-1
(E)/(Z)-1-bromo-1-butene
| Conditions | Yield |
|---|---|
| With ethanol; zinc higher-boiling 1-bromo-butene-(1); | |
| With ethanol; zinc lower-boiling 1-bromo-butene-(1); |
- 123-72-8
butyraldehyde
- 31844-98-1
(E)/(Z)-1-bromo-1-butene
| Conditions | Yield |
|---|---|
| With phosphorus trichloride dibromide; sodium ethanolate |
- 533-98-2, 130232-89-2, 130232-90-5
1,2-dibromobutane
A
- 31844-98-1
(E)/(Z)-1-bromo-1-butene
| Conditions | Yield |
|---|---|
| With ethanol; sodium phenoxide man trennt das Isomeren-Gemisch durch fraktionierte Destillation mit Alkohol, Zerlegung der erhaltenen Azeotropen mit Wasser und nochmalige Destillation; lower-boiling 1-bromo-butene-(1); |
- 533-98-2, 130232-89-2, 130232-90-5
1,2-dibromobutane
A
- 31844-98-1
(E)/(Z)-1-bromo-1-butene
| Conditions | Yield |
|---|---|
| With ethanol; sodium phenoxide man trennt das Isomeren-Gemisch durch fraktionierte Destillation mit Alkohol, Zerlegung der erhaltenen Azeotropen mit Wasser und nochmalige Destillation; higher-boiling 1-bromo-butene-(1); |
- 13991-37-2
trans-2-pentenoic acid
- 31844-98-1
(E)/(Z)-1-bromo-1-butene
| Conditions | Yield |
|---|---|
| (i) Br2, (UV-irradiation), (ii) (heating in Py); Multistep reaction; |
| Conditions | Yield |
|---|---|
| higher-boiling 1-bromo-butene-(1); |
1-Butene, 1-bromo- Specification
The 1-Butene, 1-bromo-, with the CAS registry number 31844-98-1 and EINECS registry number 250-836-7, has the systematic name and IUPAC name of (1E)-1-bromobut-1-ene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C4H7Br.
The characteristics of 1-Butene, 1-bromo- are as followings: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.471; (8)Molar Refractivity: 28.36 cm3; (9)Molar Volume: 101.3 cm3; (10)Polarizability: 11.24×10-24cm3; (11)Surface Tension: 26.8 dyne/cm; (12)Density: 1.331 g/cm3; (13)Flash Point: 14.5 °C; (14)Enthalpy of Vaporization: 32.05 kJ/mol; (15)Boiling Point: 94.7 °C at 760 mmHg; (16)Vapour Pressure: 53.4 mmHg at 25°C.
Uses of 1-Butene, 1-bromo-: It can react with propylmagnesium bromide to produce hept-3t-ene. This reaction will need catalyst PdCl2(dppf), and the menstruum tetrahydrofuran. The temperature is 30°C, and the yield is about 61%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Br[C@H]=CCC
(2)InChI: InChI=1/C4H7Br/c1-2-3-4-5/h3-4H,2H2,1H3/b4-3+
(3)InChIKey: IUXHPSPHPKXTPA-ONEGZZNKBB
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