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STOCK1N-55701 structure

STOCK1N-55701 structure

STOCK1N-55701

Iupac Name：tribromouranium

CAS No.: 13470-19-4

Molecular Weight：477.741

Modify Date.: 2021-11-29 12:21

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1. Names and Identifiers

1.1 Name: STOCK1N-55701
1.2 Synonyms: (2z)-7-{[butyl(methyl)amino]methyl}-6-hydroxy-2-(3,4,5-trimethoxybenzylidene)-1-benzofuran-3(2h)-one AC1LWT99 AKOS002254679 MOLPORT-002-528-239 ST50475115 STL033726 ZINC20610771

1.3 CAS No.: 13470-19-4

1.4 CID: 139470

1.5 Molecular Formula: C₅H₂Br₂N₂O₃ (isomer)

1.6 Inchi: InChI=1S/3BrH.U/h3*1H;/q;;;+3/p-3

1.7 InChkey: TYEZTGPOVBHTQW-UHFFFAOYSA-K

1.8 Canonical Smiles: Br[U](Br)Br

1.9 Isomers Smiles: Br[U](Br)Br

2. Properties

3.1 Melting point: 727°C

3.1 Precise Quality: 474.80600

3.1 PSA: 0

3.1 logP: -8.98800

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

4. Computational chemical data

Molecular Weight: 477.741g/mol
Molecular Formula: C_₅H_₂Br_₂N_₂O_₃
Compound Is Canonicalized: True
XLogP3-AA:
Exact Mass: 476.80375
Monoisotopic Mass: 474.80580
Complexity: 8
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Topological Polar Surface Area: 0
Heavy Atom Count: 4
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: 1

5. Recommended Suppliers

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Uranium bromide (UBr3)(7CI,8CI,9CI)

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2010/12/18

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International Bio-Analytical Industries, Inc.

Tel:+1-(561)-826-0061

Uranium (Iii) Bromide

Purity:99%Packing: 200kg/bag FOB
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Time: 2010/11/13

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Directory

1. Names and Identifiers

1.5 Molecular Formula

1.8 Canonical Smiles

1.9 Isomers Smiles

2. Properties

3.1 Melting point

3.1 Precise Quality

4.Computational chemical data

5.Recommended Suppliers