
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 73565-87-4 |
| Catalog No. | 2A-9092768 |
| Chinese Name | 氘代氢化可的松 |
| Synonyms | cortisol-d4; CB-03-01 |
| Molecular Formula | C21H26D4O5 |
| Molecular Weight | 366.48 |
| Density | 1.302g/cm3 |
| Boiling Point | 566.45ºC at 760 mmHg |
| Melting Point | 211-214ºC |
| Appearance | liquid |
| Storage Condition | -20°C Freezer |
| EINECS | 200-659-6 |
| PubChem ID | 329774859 |
| MDL Number | MFCD10567120 |
| SMILES | [2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)[C@@H]4CCC(O)(C(=O)CO)[C@@]14C |
| InChI | 1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1/i10D2,16D,18D |
| InChI Key | JYGXADMDTFJGBT-BJJKTIQHSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | transportation |
| MSDS | msds/92768_1_73565_87_4.pdf |
| Bioactivity | Chemical & Physical Properties Density 1.302g/cm3 Boiling Point 566.45ºC at 760 mmHg Melting Point 211-214ºC Molecular Formula C21H26D4O5 Molecular Weight 366.48 Flash Point 310.428ºC Exact Mass 350.24000 PSA 74.60000 LogP 2.81080 Index of Refraction 1.595 InChIKey JYGXADMDTFJGBT-UHGVCFGKSA-N SMILES CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO Storage condition -20°C Freezer |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 1230 International Maritime Transport Danger Regulations: 1230 International Air Transport Danger Regulations: 1230 14.2 United Nations shipping name European Land Transport Dangerous Regulations: METHANOL, solution IMDG Code: METHANOL, solution IFRS: Methanol, solution 14.3 Transport hazard categories European land transport risk code: 3 (6.1) International sea transport risk code: 3 (6.1) International air transport risk code: 3 (6.1) 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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