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336102-54-6 molecular structure
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2H-inden-2-ide; trichlorohafniumylium

ChemBase ID: 151766
Molecular Formular: C9H7Cl3Hf
Molecular Mass: 400.00088
Monoisotopic Mass: 399.90788326
SMILES and InChIs

SMILES:
c1cc2=C[CH-]C=c2cc1.Cl[Hf+](Cl)Cl
Canonical SMILES:
[CH-]1C=c2c(=C1)cccc2.Cl[Hf+](Cl)Cl
InChI:
InChI=1S/C9H7.3ClH.Hf/c1-2-5-9-7-3-6-8(9)4-1;;;;/h1-7H;3*1H;/q-1;;;;+4/p-3
InChIKey:
ADAQNUQUSIBFBG-UHFFFAOYSA-K

Cite this record

CBID:151766 http://www.chembase.cn/molecule-151766.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2H-inden-2-ide; trichlorohafniumylium
IUPAC Traditional name
2H-inden-2-ide; trichlorohafniumylium
Synonyms
Indenylhafnium(IV) Trichloride
茚基三氯化铪(IV)
CAS Number
336102-54-6
MDL Number
MFCD03427277
PubChem SID
24880279

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich 566128 external link Add to cart
Data Source Data ID Price
Sigma Aldrich
566128 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.711124  H Acceptors
H Donor LogD (pH = 5.5) 2.2931 
LogD (pH = 7.4) 2.2931  Log P 3.2502 
Molar Refractivity 38.1652 cm3 Polarizability 16.447489 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
164-166 °C(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, 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 3261 8/PG 2 expand Show data source
Purity
98% expand Show data source
Empirical Formula (Hill Notation)
C9H7Cl3Hf expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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