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Cas Database |
| Name |
6-Bromoindanone |
EINECS | 688-934-0 |
| CAS No. | 14548-39-1 | Density | 1.608 g/cm3 |
| PSA | 17.07000 | LogP | 2.57800 |
| Solubility | N/A | Melting Point |
111-115 ºC |
| Formula | C9H7BrO | Boiling Point | 291.6 ºC at 760 mmHg |
| Molecular Weight | 211.058 | Flash Point | 111.6 ºC |
| Transport Information | N/A | Appearance | White to yellow crystalline powder or needles |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Indanone,6-bromo- (6CI,7CI,8CI);6-Bromo-1-indanone;6-Bromo-2,3-dihydro-1H-inden-1-one; |
Article Data | 36 |
6-Bromoindanone Synthetic route
- 1643-30-7
3-(4-bromophenyl)propionic acid
- 14548-39-1
6-bromoindan-1-one
| Conditions | Yield |
|---|---|
| With trifluorormethanesulfonic acid In dichloromethane at 80℃; for 1h; Friedel-Crafts Acylation; High pressure; Inert atmosphere; Green chemistry; | 100% |
| With chlorosulfonic acid at 0℃; for 1h; Friedel-Crafts reaction; | 98% |
| With aluminum (III) chloride In dichloromethane for 3h; Reflux; | 80% |
- 62803-47-8
6-hydroxy-1-indanone
- 18162-48-6
tert-butyldimethylsilyl chloride
- 14548-39-1
6-bromoindan-1-one
| Conditions | Yield |
|---|---|
| With 1H-imidazole In dichloromethane | 98% |
- 55394-81-5
3-(4-bromophenyl)propanoyl chloride
- 14548-39-1
6-bromoindan-1-one
| Conditions | Yield |
|---|---|
| With aluminium trichloride In carbon disulfide | 91% |
| With aluminium trichloride In carbon disulfide for 3h; Heating / reflux; | 47% |
| With aluminium trichloride In dichloromethane |
- 1383443-48-8
C15H13BrN2O3
- 14548-39-1
6-bromoindan-1-one
| Conditions | Yield |
|---|---|
| With trifluorormethanesulfonic acid In chloroform at 50℃; for 4h; Friedel Crafts acylation; Inert atmosphere; | 88% |
- 69975-65-1
6-aminoindan-1-one
- 14548-39-1
6-bromoindan-1-one
| Conditions | Yield |
|---|---|
| Stage #1: 6-aminoindan-1-one With hydrogenchloride; sodium nitrite In water at 0℃; Stage #2: With copper(I) bromide In water at 0 - 20℃; for 2h; | 71% |
- 1643-30-7
3-(4-bromophenyl)propionic acid
A
- 14548-39-1
6-bromoindan-1-one
B
- 1610628-81-3
6-bromo-2-[3-(4-bromophenyl)-1-oxopropyl]-indan-1-one
| Conditions | Yield |
|---|---|
| With trifluorormethanesulfonic acid; trifluoroacetic acid In dichloromethane at 20℃; for 2h; | A 8% B 70% |
| Conditions | Yield |
|---|---|
| Stage #1: 3-(4-bromophenyl)propionic acid With trifluoroacetic anhydride In dichloromethane at 20℃; for 0.25h; Stage #2: With trifluorormethanesulfonic acid In dichloromethane at 20℃; for 2h; | A 8% B 70% |
| Stage #1: 3-(4-bromophenyl)propionic acid With trifluoroacetic anhydride In dichloromethane at 20℃; for 0.25h; Stage #2: With trifluorormethanesulfonic acid In dichloromethane at 20℃; for 2h; | A 62% B n/a |
- 83-33-0
inden-1-one
A
- 15115-60-3
4-bromo-2,3-dihydroinden-1-one
B
- 14548-39-1
6-bromoindan-1-one
C
- 34598-49-7
5-Bromo-1-indanone
D
- 103515-98-6
4,7-dibromo-1-indanone
| Conditions | Yield |
|---|---|
| With aluminium trichloride; bromine at 110℃; for 0.5h; Further byproducts given; | A 47% B 21% C 3% D 2% |
- 83-33-0
inden-1-one
A
- 15115-60-3
4-bromo-2,3-dihydroinden-1-one
B
- 14548-39-1
6-bromoindan-1-one
C
- 34598-49-7
5-Bromo-1-indanone
| Conditions | Yield |
|---|---|
| With aluminium trichloride; bromine at 110℃; for 0.5h; Further byproducts given; | A 47% B 21% C 3% D 1% |
| Conditions | Yield |
|---|---|
| With Pseudomonas putida UV4 for 7h; | A 28% B 16% |
6-Bromoindanone Chemical Properties
Molecular Structure of 1H-Inden-1-one,6-bromo-2,3-dihydro- (CAS NO.14548-39-1):
.png)
IUPAC Name: 6-bromo-2,3-dihydroinden-1-one
Empirical Formula: C9H7BrO
Molecular Weight: 211.0553
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.622
Molar Refractivity: 46.24 cm3
Molar Volume: 131.2 cm3
Surface Tension: 49.9 dyne/cm
Density: 1.608 g/cm3
Flash Point: 111.6 °C
Enthalpy of Vaporization: 53.1 kJ/mol
Boiling Point: 291.6 °C at 760 mmHg
Vapour Pressure: 0.00193 mmHg at 25°C
InChI
InChI=1/C9H7BrO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2
Smiles
c12C(CCc1ccc(c2)Br)=O
Melting point: 111-115 °C(lit.)
Product Categories: Benzocycles; pharmacetical; Pharmaceutical intermediate; C9; Carbonyl Compounds; Ketones
6-Bromoindanone Safety Profile
WGK Germany: 3
6-Bromoindanone Specification
1H-Inden-1-one,6-bromo-2,3-dihydro- , with CAS number of 14548-39-1, can be called 6-Bromo-2,3-dihydroinden-1-one ; 6-bromo-1-indanone ; 6-bromo-indan-1-one ; 6-bromo indanone ; 6-Bromo-1-indanone,98% ; 6-Brom-2,3-dihydro-1H-inden-1-on .It is a white to yellow crystalline powder or needles.
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