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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

1-Bromo-1-cyclohexene Synthetic route

: 28075-50-5
cyclohex-1-en-1-yl trifluoromethane sulfonate

: 2044-08-8
1-bromocyclohex-1-ene

Conditions

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%

: 108-94-1
cyclohexanone

: 2044-08-8
1-bromocyclohex-1-ene

Conditions

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;

: 108-93-0
cyclohexanol

: 2044-08-8
1-bromocyclohex-1-ene

Conditions

Conditions	Yield
With pyridine; phosphorus tribromide In tetrahydrofuran at -10 - -5℃; for 10h; Large scale;	72%

: 636-82-8
cyclohexene-1-carboxylic acid

: 2044-08-8
1-bromocyclohex-1-ene

Conditions

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%

: 7429-37-0
trans-1,2-dibromocyclohexane

: 2044-08-8
1-bromocyclohex-1-ene

Conditions

Conditions	Yield
With morpholine; dimethyl sulfoxide In benzene for 40h; Heating;	65%

: 5401-62-7
1,2-dibromocyclohexane

: 2044-08-8
1-bromocyclohex-1-ene

Conditions

Conditions	Yield
With sodium amide; tert-butyl alcohol In tetrahydrofuran 1.) -40 deg C, 1 h, 2.) RT, 1 h;	63%
With quinoline

: 4545-18-0
N'-cyclohexylidene-4-methylbenzene-1-sulfonohydrazide

: 2044-08-8
1-bromocyclohex-1-ene

Conditions

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;

: 17170-96-6
trans-1-bromo-2-fluorocyclohexane

: 2044-08-8
1-bromocyclohex-1-ene

Conditions

Conditions	Yield
With sodium amide In tetrahydrofuran; tert-butyl alcohol	47%

: 4065-81-0
cyclohexen-1-ol

: 2044-08-8
1-bromocyclohex-1-ene

Conditions

Conditions	Yield
With oxalyl dichloride; Triphenylphosphine oxide; lithium bromide In chloroform at 20℃; for 7h; Appel reaction;	14%

: 10489-97-1
dibromo-cyclohexane

: 2044-08-8
1-bromocyclohex-1-ene

Conditions

Conditions	Yield
With quinoline

1-Bromo-1-cyclohexene Specification

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.

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