1-Isopropyl-2-acrolein-3-(4-fluorophenyl)-indole structure
|
Common Name | 1-Isopropyl-2-acrolein-3-(4-fluorophenyl)-indole | ||
|---|---|---|---|---|
| CAS Number | 93957-50-7 | Molecular Weight | 307.361 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 497.6±45.0 °C at 760 mmHg | |
| Molecular Formula | C20H18FNO | Melting Point | 127-129ºC | |
| MSDS | N/A | Flash Point | 254.8±28.7 °C | |
| Name | (E)-3-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)acrylaldehyde |
|---|---|
| Synonym | More Synonyms |
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 497.6±45.0 °C at 760 mmHg |
| Melting Point | 127-129ºC |
| Molecular Formula | C20H18FNO |
| Molecular Weight | 307.361 |
| Flash Point | 254.8±28.7 °C |
| Exact Mass | 307.137238 |
| PSA | 22.00000 |
| LogP | 5.01 |
| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
| Index of Refraction | 1.571 |
| InChIKey | DVWHSTKQJBIYCK-VMPITWQZSA-N |
| SMILES | CC(C)n1c(C=CC=O)c(-c2ccc(F)cc2)c2ccccc21 |
| Hazard Codes | Xi:Irritant;N:Dangerousfortheenvironment; |
|---|---|
| Risk Phrases | R43;R50/53 |
| Safety Phrases | S2-S22-S24-S37-S60-S61 |
| HS Code | 2933990090 |
|
~53%
1-Isopropyl-2-a... CAS#:93957-50-7 |
| Literature: Clariant Life Science Molecules (Italia) SpA Patent: EP1477474 A1, 2004 ; Location in patent: Page column 5 - 6 ; |
|
~72%
1-Isopropyl-2-a... CAS#:93957-50-7 |
| Literature: Clariant Life Science Molecules (Italia) SpA Patent: EP1477474 A1, 2004 ; Location in patent: Page column 6 ; |
|
~87%
1-Isopropyl-2-a... CAS#:93957-50-7 |
| Literature: Zacharia, James T.; Tanaka, Takanori; Hayashi, Masahiko Journal of Organic Chemistry, 2010 , vol. 75, # 22 p. 7514 - 7518 |
|
~%
1-Isopropyl-2-a... CAS#:93957-50-7 |
| Literature: Journal of Organic Chemistry, , vol. 57, # 11 p. 3250 - 3252 |
| Precursor 6 | |
|---|---|
| DownStream 5 | |
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
| 3-[3-(4-Fluorophenyl)-1-isopropyl-1H-2-indolyl]propenal |
| (E)-3-[3'-(4"-Fluorophenyl)-1'-(1"-methylethyl)-1H-indol-2"-yl]-2-propnal |
| (2E)-3-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]prop-2-enal |
| T56 BNJ BY1&1 C1U1VH DR DF |
| 1-Isopropyl-2-acrolein-3-(4-fluorophenyl)-indole |
| 2-Propenal, 3-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-, (2E)- |
| 3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]prop-2-enal |
| (2E)-3-[3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl]acrylaldehyde |
| EINECS 425-370-4 |
| 3-(3-(4-FLUOROPHENYL)-1-(1-METHYL ETHYL)-1H-INDOL-2-YL)-2E-PROPENAL |
| 3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-(E)-2-propenal |