- Cyclobutyl bromide
- Cyclobutyl chloride
- Cyclobutylamine
- Cyclobutylamine hydrochloride
- Cyclobutylboronic acid
- Cyclobutylmethylamine
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Cas Database |
| Name |
Cyclobutyl bromide |
EINECS | 224-530-9 |
| CAS No. | 4399-47-7 | Density | 1.581 g/cm3 |
| PSA | 0.00000 | LogP | 1.93380 |
| Solubility | insoluble in water | Melting Point |
N/A |
| Formula | C4H7Br | Boiling Point | 107.1 °C at 760 mmHg |
| Molecular Weight | 135.004 | Flash Point | 22.2 °C |
| Transport Information | UN 1993 3/PG 2 | Appearance | Clear colourless liquid |
| Safety | 26-36-36/37/39-16 | Risk Codes | 10-36/37/38-20/21/22 |
| Molecular Structure |
|
Hazard Symbols |
 Xi,  Xn
|
| Synonyms |
Cyclobutyl bromide;AC1L2UIA;SBB070682; |
Article Data | 30 |
Cyclobutyl bromide Synthetic route
| Conditions | Yield |
|---|---|
| In acetonitrile at 20℃; for 84h; Reflux; regioselective reaction; | A 75% B 37.5% |
| Conditions | Yield |
|---|---|
| With hydrogen bromide In 1,4-dioxane; chloroform at 10 - 20℃; for 2h; | A 9% B 74% |
| With phosphorus tribromide In diethyl ether at -80℃; Product distribution; variation of temperatures; | |
| With hydrogen bromide; 1-octyl-3-methyl-imidazolium bromide at 25℃; for 0.333333h; Reagent/catalyst; Temperature; |
- 42392-28-9
Cyclobutancarbonsaeure - Silbersalz
- 4399-47-7
Bromocyclobutane
| Conditions | Yield |
|---|---|
| With bromine In tetrachloromethane at -25℃; for 12h; | 60% |
| With bromine In tetrachloromethane at 26.9℃; for 1h; | 23% |
| Conditions | Yield |
|---|---|
| With NbCl3(N,N′-bis-(2,6-diisopropylphenyl)-1,4-diaza-2,3-dimethyl-1,3-butadiene) In benzene-d6 at 120℃; for 14h; Catalytic behavior; Inert atmosphere; Schlenk technique; Glovebox; | A 59% B 33% |
- 503-17-3
dimethylacetylene
- 33742-81-3
1,1-dibromocyclobutane
A
- 4399-47-7
Bromocyclobutane
B
- 80204-24-6
1-Brom-1-methylcyclobutan
C
- 108909-90-6
1,2-dimethylspiro(2.3)hex-1-ene
D
- 6142-73-0
methylene cyclopropane
| Conditions | Yield |
|---|---|
| With methyllithium In diethyl ether at -35℃; Further byproducts given; | A n/a B 12% C 21% D 30% |
- 33742-81-3
1,1-dibromocyclobutane
A
- 4399-47-7
Bromocyclobutane
B
- 80204-24-6
1-Brom-1-methylcyclobutan
C
- 108909-90-6
1,2-dimethylspiro(2.3)hex-1-ene
D
- 6142-73-0
methylene cyclopropane
| Conditions | Yield |
|---|---|
| With dimethylacetylene; methyllithium In diethyl ether at -35℃; Further byproducts given; | A n/a B 12% C 21% D 30% |
| Conditions | Yield |
|---|---|
| With carbon tetrabromide; triphenylphosphine In diethyl ether |
| Conditions | Yield |
|---|---|
| Multistep reaction; |
- 498-66-8
norborn-2-ene
A
- 4399-47-7
Bromocyclobutane
- 38537-30-3, 38537-32-5, 38537-61-0, 38537-64-3, 98431-04-0
7-anti-Chlor-8,9,10-trinorbornan-2-exo-ol
| Conditions | Yield |
|---|---|
| With hypochloric acid |
| Conditions | Yield |
|---|---|
| With hydroxide; bromine; silver nitrate 2.) CCl4; Multistep reaction; | |
| With [bis(acetoxy)iodo]benzene; potassium bromide In dichloromethane at 25℃; Irradiation; | 86 %Chromat. |
Cyclobutyl bromide Specification
The Cyclobutane, bromo- with CAS registry number of 4399-47-7 is also known as Cyclobutyl bromide. The IUPAC name is Cyclobutyl bromide. It belongs to product categories of Cyclobutanes & Cyclobutenes; Simple 4-Membered Ring Compounds; Cycloalkanes. Its EINECS registry number is 224-530-9. In addition, the formula is C4H7Br and the molecular weight is 135.00. This chemical is a clear colourless liquid that miscible with water. It may cause inflammation to the skin or other mucous membranes and may cause damage to health. Therefore this chemical should be sealed in ventilated, dry place without light at the temperature of 0-6 °C.
Physical properties about Cyclobutane, bromo- are: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 22.39; (6)ACD/BCF (pH 7.4): 22.39; (7)ACD/KOC (pH 5.5): 322.13; (8)ACD/KOC (pH 7.4): 322.13; (9)Index of Refraction: 1.526; (10)Molar Refractivity: 26.23 cm3; (11)Molar Volume: 85.3 cm3; (12)Surface Tension: 37.6 dyne/cm; (13)Density: 1.581 g/cm3; (14)Flash Point: 22.2 °C; (15)Enthalpy of Vaporization: 33.17 kJ/mol; (16)Boiling Point: 107.1 °C at 760 mmHg; (17)Vapour Pressure: 32 mmHg at 25 °C.
Preparation of Cyclobutane, bromo-: it is prepared by reaction of cyclobutanecarboxylic acid; silver (I)-compound. The reaction needs reagent Br2 and solvent CCl4 at the temperature of -25 °C for 12 hours. The yield is about 60%.
Uses of Cyclobutane, bromo-: it is used to produce cyclobutyltrimethylsilane by reaction with chloro-trimethyl-silane. The reaction occurs with reagent Li and solvent tetrahydrofuran at the temperature of -20 °C for 20 hours. The yield is about 50%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Furthermore, it is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. Keep away from sources of ignition as this chemical is flammable. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1CC(C1)Br
2. InChI: InChI=1S/C4H7Br/c5-4-2-1-3-4/h4H,1-3H2
3. InChIKey: KXVUSQIDCZRUKF-UHFFFAOYSA-N
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