![N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(9R)-6'-Methoxycinchonan-9-yl]- Thiourea structure, CAS 852913-25-8](/structures/180000/172171_2_852913_25_8.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 852913-25-8 |
| Catalog No. | 2A-1171951 |
| Chinese Name | N-[3,5-二(三氟甲基)苯基]-N'-[(9R)-6'-甲氧基奎宁-9-基]硫脲 |
| Synonyms | 1-[3,5-bis(trifluoromethyl)phenyl]-1-propanol; 1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PROPANOL-1 |
| Molecular Formula | C29H28F6N4OS |
| Molecular Weight | 594.61400 |
| Purity | 98% |
| Melting Point | 150°C |
| Storage Condition | room temperature, dry |
| PubChem ID | 24432615 |
| SMILES | C=CC1CN2CCC1CC2C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnc2ccc(OC)cc12 |
| InChI | InChI=1S/C29H28F6N4OS/c1-3-16-15-39-9-7-17(16)10-25(39)26(22-6-8-36-24-5-4-21(40-2)14-23(22)24)38-27(41)37-20-12-18(28(30,31)32)11-19(13-20)29(33,34)35/h3-6,8,11-14,16-17,25-26H,1,7,9-10,15H2,2H3,(H2,37,38,41)/t16-,17-,25+,26+/m0/s1 |
| InChI Key | IQMKPBFOEWWDIQ-ZRJNXXGPSA-N |
| Hazard Symbols | transportation |
| Transport Info | Product name: Purity: 90.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 Names specified by the United Nations (UN) European land transport hazard regulations: TOXIC SOLID, ORGANIC, N.O.S. (N-(3,5-Bis(trifluoromethyl)phenyl)-N'-((9R)-6'-methoxy- 9-cinchoanyl)thiourea) IMDG: TOXIC SOLID, ORGANIC, N.O.S. (N-(3,5-Bis(trifluoromethyl)phenyl)-N'-((9R)-6'-methoxy- 9-cinchoanyl)thiourea) International air transport hazard regulations: Toxic solid, organic, n.o.s. (N-(3,5-Bis(trifluoromethyl)phenyl)-N'-((9R)-6'-methoxy-9- cinchoanyl)thiourea) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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