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12070-14-3 molecular structure
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methanidylidynezirconiumylium

ChemBase ID: 138692
Molecular Formular: CZr
Molecular Mass: 103.2347
Monoisotopic Mass: 101.904704
SMILES and InChIs

SMILES:
[C-]#[Zr+]
Canonical SMILES:
[C-]#[Zr+]
InChI:
InChI=1S/C.Zr/q-1;+1
InChIKey:
MHMXYYDKIQTOHA-UHFFFAOYSA-N

Cite this record

CBID:138692 http://www.chembase.cn/molecule-138692.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methanidylidynezirconiumylium
IUPAC Traditional name
methanidylidynezirconiumylium
Synonyms
Zirconium(IV) carbide
碳化锆(IV)
CAS Number
12070-14-3
EC Number
235-125-1
MDL Number
MFCD00049640
PubChem SID
24860376
162232943
PubChem CID
11159298

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
336351 external link Add to cart Please log in.
Data Source Data ID
PubChem 11159298 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.895782  H Acceptors
H Donor LogD (pH = 5.5) 0.2114 
LogD (pH = 7.4) 0.2114  Log P 0.2114 
Molar Refractivity 13.1149 cm3 Polarizability 5.9814887 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)
Apperance
powder expand Show data source
Density
6.73 g/mL at 25 °C(lit.) expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3178 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-20/21/22 expand Show data source
Safety Statements
16-27-33-36/37/39 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H228-H302 + H312 + H332 expand Show data source
GHS Precautionary statements
P210-P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), 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 3178 4.1/PG 2 expand Show data source
Purity
99% expand Show data source
Particle Size
10 μm expand Show data source
Description
cubic phase expand Show data source
Linear Formula
ZrC expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 336351 external link
Packaging
250 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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