| Chemical & Physical Properties | |
|---|---|
| CAS Number | 152111-91-6 |
| Catalog No. | 2A-3185294 |
| Chinese Name | NIR797-异硫氰酸酯 |
| Synonyms | NIR-797 isothiocyanate; NIR-797-isothiocyanat |
| Molecular Formula | C45H50N3NaO6S4 |
| Molecular Weight | 880.14 |
| Storage Condition | 2-8°C |
| PubChem ID | 329750761 |
| MDL Number | MFCD01862952 |
| SMILES | CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCCCS(=O)(=O)[O-])c4ccccc4C3(C)C)=C2Sc2ccc(N=C=S)cc2)N(CCCCS(=O)(=O)[O-])c2ccccc21.[Na+] |
| InChI | InChI=1S/C45H51N3O6S4.Na/c1-44(2)37-16-5-7-18-39(37)47(28-9-11-30-57(49,50)51)41(44)26-20-33-14-13-15-34(43(33)56-36-24-22-35(23-25-36)46-32-55)21-27-42-45(3,4)38-17-6-8-19-40(38)48(42)29-10-12-31-58(52,53)54;/h5-8,16-27H,9-15,28-31H2,1-4H3,(H-,49,50,51,52,53,54);/q;+1/p-1 |
| InChI Key | URQBXUCJHTXMKS-UHFFFAOYSA-M |
| Beilstein/REAXYS | 6681910 |
| NACRES Code | NA.32 |
| UNSPSC | 12352108 |
| Hazard Symbols | transportation |
| Transport Info | Product name: Purity: 90.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 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 See reverse side of invoice or packing slip. |
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