Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Bromo-1-cyclohexene |
EINECS | N/A |
CAS No. | 2044-08-8 | Density | 1.3901 |
PSA | 0.00000 | LogP | 2.83920 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H9 Br | Boiling Point | 155.42°C (estimate) |
Molecular Weight | 161.041 | Flash Point | 58.2oC |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Bromo-1-cyclohexene;1-Bromocyclohexene; |
Article Data | 32 |
cyclohex-1-en-1-yl trifluoromethane sulfonate
1-bromocyclohex-1-ene
Conditions | Yield |
---|---|
With tris(2,4-pentanedionato)ruthenium(III); 1,10-Phenanthroline; ethylmagnesium bromide; lithium bromide In tetrahydrofuran at 60℃; for 24h; Inert atmosphere; | 91% |
Conditions | Yield |
---|---|
With 2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one; triphenylphosphine In dichloromethane at 40℃; for 24h; | 75% |
With triphenyl phosphite; bromine; triethylamine In dichloromethane at -60 - 20℃; for 20h; Inert atmosphere; Reflux; | 67% |
With 2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one; triphenylphosphine In dichloromethane for 18h; Reflux; Inert atmosphere; |
Conditions | Yield |
---|---|
With pyridine; phosphorus tribromide In tetrahydrofuran at -10 - -5℃; for 10h; Large scale; | 72% |
Conditions | Yield |
---|---|
Stage #1: cyclohexene-1-carboxylic acid With bromine In dichloromethane at 20℃; for 0.5h; Stage #2: With sulfolane; dmap at 40 - 90℃; | 66% |
Conditions | Yield |
---|---|
With morpholine; dimethyl sulfoxide In benzene for 40h; Heating; | 65% |
Conditions | Yield |
---|---|
With sodium amide; tert-butyl alcohol In tetrahydrofuran 1.) -40 deg C, 1 h, 2.) RT, 1 h; | 63% |
With quinoline |
Conditions | Yield |
---|---|
With N-Bromosuccinimide; tetrabutylammomium bromide; potassium carbonate In 1,4-dioxane at 90℃; Inert atmosphere; regioselective reaction; | 58% |
With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; 1,2-dibromo-1,1,2,2-tetrafluoroethane 1.) a.) hexane, -78 deg C, 2 h, b.) RT, 3 h, 2.) -78 deg C, 1 h; Yield given. Multistep reaction; |
trans-1-bromo-2-fluorocyclohexane
1-bromocyclohex-1-ene
Conditions | Yield |
---|---|
With sodium amide In tetrahydrofuran; tert-butyl alcohol | 47% |
Conditions | Yield |
---|---|
With oxalyl dichloride; Triphenylphosphine oxide; lithium bromide In chloroform at 20℃; for 7h; Appel reaction; | 14% |
dibromo-cyclohexane
1-bromocyclohex-1-ene
Conditions | Yield |
---|---|
With quinoline |
The 1-Bromo-1-cyclohexene, with the CAS registry number 2044-08-8.It belongs to the product Organic matters. This chemical's molecular formula is C6H9Br and molecular weight is 161.03. What's more, Its systematic name is 1-Bromocyclohexene.
Physical properties about 1-Bromo-1-cyclohexene are: (1)ACD/LogP: 3.076; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 128.19; (6)ACD/BCF (pH 7.4): 128.19; (7)ACD/KOC (pH 5.5): 1123.05; (8)ACD/KOC (pH 7.4): 1123.05; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 35.056 cm3; (14)Molar Volume: 112.101 cm3; (15)Surface Tension: 37.5029983520508 dyne/cm; (16)Density: 1.437 g/cm3; (17)Flash Point: 58.157 °C; (18)Enthalpy of Vaporization: 38.52 kJ/mol; (19)Boiling Point: 165.211 °C at 760 mmHg; (20)Vapour Pressure: 2.48900008201599 mmHg at 25°C;
You can still convert the following datas into molecular structure:
(1)SMILES:Br\C1=C\CCCC1;
(2)Std. InChI:InChI=1S/C6H9Br/c7-6-4-2-1-3-5-6/h4H,1-3,5H2;
(3)Std. InChIKey:QBUMXSSCYUMVAW-UHFFFAOYSA-N.