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| CAS No.: | 75476-78-7 |
|---|---|
| Name: | 1H-Indene, 5-bromo- |
| Article Data: | 12 |
| Molecular Structure: | |
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|
|
| Formula: | C9H7Br |
| Molecular Weight: | 195.059 |
| Synonyms: | 5-Bromo-1H-indene;5-Bromoindene; |
| Density: | 1.523 g/cm3 |
| Melting Point: | 41 °C |
| Boiling Point: | 245 °C at 760 mmHg |
| Flash Point: | 105.5 °C |
| Appearance: | Colourless |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 22-26-36/37/39 |
| PSA: | 0.00000 |
| LogP: | 3.01840 |
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- 75476-86-7
6-Bromo-2,3-dihydro-1H-inden-1-ol
- 75476-78-7
5-bromo-1H-indene
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In benzene Heating; | 97% |
| With toluene-4-sulfonic acid In benzene for 3h; Reflux; | 95% |
| With toluene-4-sulfonic acid In benzene at 65℃; for 14h; | 88% |
| Conditions | Yield |
|---|---|
| Stage #1: 5-Bromo-1-indanone With lithium aluminium tetrahydride at 0℃; for 2h; Stage #2: With toluene-4-sulfonic acid In benzene at 75℃; for 2h; | A 90% B n/a |
- 862135-61-3
5-bromo-2,3-dihydro-1H-inden-2-ol
- 75476-78-7
5-bromo-1H-indene
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In benzene |
- 174349-93-0
5-bromo-1H-inden-2(3H)-one
- 75476-78-7
5-bromo-1H-indene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: LiAlH4 / diethyl ether 2: p-TsOH / benzene View Scheme |
- 14548-39-1
6-bromoindan-1-one
- 75476-78-7
5-bromo-1H-indene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 88 percent / sodium borohydride / methanol / 2 h / 20 °C 2: 87 percent / p-TsOH / benzene / 2 h / Heating View Scheme | |
| Multi-step reaction with 2 steps 1: 89 percent / NaBH4 / ethanol / 25 °C 2: 97 percent / p-toluenesulfonic acid * H2O / benzene / Heating View Scheme | |
| Multi-step reaction with 2 steps 1: sodium borohydride / methanol / 1 h / Ambient temperature 2: 77 percent / H2SO4 (20percent), ethylene glycol / 20 h / 75 °C View Scheme |
- 33065-61-1
6-bromo-1H-indene
- 75476-78-7
5-bromo-1H-indene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 28 percent / Pseudomonas putida UV4 / 7 h 2: 88 percent / sodium borohydride / methanol / 2 h / 20 °C 3: 87 percent / p-TsOH / benzene / 2 h / Heating View Scheme |
- 34598-49-7
5-Bromo-1-indanone
- 75476-78-7
5-bromo-1H-indene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: 90 percent / sodium borohydride / methanol / 2 h / 20 °C 2: 92 percent / p-TsOH / benzene / 2 h / Heating 3: 28 percent / Pseudomonas putida UV4 / 7 h 4: 88 percent / sodium borohydride / methanol / 2 h / 20 °C 5: 87 percent / p-TsOH / benzene / 2 h / Heating View Scheme |
- 34598-50-0
5-bromo-1-indanol
- 75476-78-7
5-bromo-1H-indene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 92 percent / p-TsOH / benzene / 2 h / Heating 2: 28 percent / Pseudomonas putida UV4 / 7 h 3: 88 percent / sodium borohydride / methanol / 2 h / 20 °C 4: 87 percent / p-TsOH / benzene / 2 h / Heating View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: NaBH4 / ethanol 2: p-TsOH / toluene / 80 °C View Scheme |
- 1643-30-7
3-(4-bromophenyl)propionic acid
- 75476-78-7
5-bromo-1H-indene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: thionyl chloride 2: 91 percent / AlCl3 / CS2 3: 89 percent / NaBH4 / ethanol / 25 °C 4: 97 percent / p-toluenesulfonic acid * H2O / benzene / Heating View Scheme | |
| Multi-step reaction with 3 steps 1: aluminum (III) chloride / dichloromethane / 3 h / Reflux 2: sodium tetrahydroborate / ethanol / 3 h / 10 - 20 °C 3: toluene-4-sulfonic acid / benzene / 3 h / Reflux View Scheme |
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Specification
The 1H-Indene, 5-bromo- with CAS registry number of 75476-78-7 is also called 5-Bromo-1H-indene. Its Molecular formula is C9H7Br and Molecular weight is 195.06. Its systematic name is 5-bromo-1H-indene.
Physical properties about this chemical are: (1) ACD/LogP: 3.74; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.74; (4) ACD/LogD (pH 7.4): 3.74; (5) ACD/BCF (pH 5.5): 409.38; (6) ACD/BCF (pH 7.4): 409.38; (7) ACD/KOC (pH 5.5): 2578.48; (8) ACD/KOC (pH 7.4): 2578.48; (9) Index of Refraction: 1.633; (10) Molar Refractivity: 45.72 cm3; (11) Molar Volume: 128 cm3; (12) Polarizability: 18.12×10-24 cm3; (13) Surface Tension: 47.1 dyne/cm; (14) Density: 1.523 g/cm3; (15) Flash Point: 105.5 °C; (16) Enthalpy of Vaporization: 46.26 kJ/mol; (17) Boiling Point: 245 °C at 760 mmHg; (18) Vapour Pressure: 0.0459 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, do not breathe dust and please wear suitable protective clothing, gloves and eye/face protection. 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) SMILES: Brc1cc\2c(cc1)C/C=C/2CopyCopied;
(2) InChI: InChI=1/C9H7Br/c10-9-5-4-7-2-1-3-8(7)6-9/h1,3-6H,2H2;
(3) InChIKey: ZPZKSAJLIFPVSR-UHFFFAOYAK;
(4) Std. InChI: InChI=1S/C9H7Br/c10-9-5-4-7-2-1-3-8(7)6-9/h1,3-6H,2H2;
(5) Std. InChIKey: ZPZKSAJLIFPVSR-UHFFFAOYSA-N