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58204-42-5 molecular structure
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tris(methanidylidyneoxidanium) triamine tungsten

ChemBase ID: 145830
Molecular Formular: C3H9N3O3W
Molecular Mass: 318.96186
Monoisotopic Mass: 319.01532216
SMILES and InChIs

SMILES:
[C-]#[O+].[C-]#[O+].[C-]#[O+].N.N.N.[W]
Canonical SMILES:
[O+]#[C-].[O+]#[C-].[O+]#[C-].N.N.N.[W]
InChI:
InChI=1S/3CO.3H3N.W/c3*1-2;;;;/h;;;3*1H3;
InChIKey:
JWQGTYYULKOZJU-UHFFFAOYSA-N

Cite this record

CBID:145830 http://www.chembase.cn/molecule-145830.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(methanidylidyneoxidanium) triamine tungsten
IUPAC Traditional name
tris(carbon monoxide) triamine tungsten
Synonyms
Triamminetungsten(IV) tricarbonyl
三羰基三氨合钨(IV)
CAS Number
58204-42-5
MDL Number
MFCD03093981
PubChem SID
24878517
162240032
PubChem CID
16217041

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
541109 external link Add to cart Please log in.
Data Source Data ID
PubChem 16217041 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.189176  H Acceptors
H Donor LogD (pH = 5.5) -3.9616656 
LogD (pH = 7.4) -3.9616656  Log P -3.9616656 
Molar Refractivity 26.2298 cm3 Polarizability 2.2798557 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
227-231 °C(lit.) expand Show data source
UN Number
3395 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
14 expand Show data source
Safety Statements
7 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H261 expand Show data source
GHS Precautionary statements
P231 + P232-P422 expand Show data source
Personal Protective Equipment
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3395 4.3/PG 2 expand Show data source
Linear Formula
(NH3)3W(CO)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 541109 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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