STOCK6S-89925
- Iupac Name：gadolinium(3+);oxygen(2-)
- CAS No.: 12064-62-9
- Molecular Weight：362.5
- Modify Date.: 2022-02-11 17:10
1. Names and Identifiers
- 1.1 Name
- STOCK6S-89925
- 1.2 Synonyms
2-[4-(azepane-1-carbonyl)phenoxymethyl]-n,n-dimethyl-1-benzofuran-5-sulfonamide 2-{[4-(azepan-1-ylcarbonyl)phenoxy]methyl}-n,n-dimethyl-1-benzofuran-5-sulfonamide AKOS005671263 MCULE-1035786587 MOLPORT-008-343-611 STK942182 ZINC36358486
- 1.3 CAS No.
- 12064-62-9
- 1.4 CID
- 159427
- 1.5 Molecular Formula
- C35H28N2O5 (isomer)
- 1.6 Inchi
- InChI=1S/2Gd.3O/q2*+3;3*-2
- 1.7 InChkey
- CMIHHWBVHJVIGI-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- [O-2].[O-2].[O-2].[Gd+3].[Gd+3]
- 1.9 Isomers Smiles
- [O-2].[O-2].[O-2].[Gd+3].[Gd+3]
2. Properties
- 3.1 Melting point
- 2330 °C(lit.)
- 3.1 Precise Quality
- 363.83300
- 3.1 PSA
- 85.5
- 3.1 logP
- -0.35640
3. Safety and Handling
- 4.1 Risk Statements
- 36
- 4.1 Safety Statements
- 39-26
- 4.1 WGK Germany
- 1
- 4.1 RTECS
- LW4790000
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | No symbol. |
| Signal word | No signal word. |
| Hazard statement(s) | none |
| Precautionary statement(s) | |
| Prevention | none |
| Response | none |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
5. Computational chemical data
- Molecular Weight: 362.5g/mol
- Molecular Formula: C35H28N2O5
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 365.83592
- Monoisotopic Mass: 363.83297
- Complexity: 0
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Topological Polar Surface Area: 3
- Heavy Atom Count: 5
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 5
- CACTVS Substructure Key Fingerprint: AAADcQAAMAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Recommended Suppliers
-
- Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
- Tel:86-156-33831222
- Email:xing@yan-xi.com
-
- Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
- Tel:86-431-81915458
- Email:cathytan@jltely.com
-
- Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
- Tel:86-592-8883942
- Email:sale@amitychem.com
-
- Products:Chemical products
- Tel:86-571-88938639
- Email:sales-gc@chinadayangchem.com
-
- Products:Cosmetic Raw Materials,solvents,etc.
- Tel:86-311-66562153
- Email:spring@crovellbio.com
7. Realated Product Infomation
skype
3YRS
