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32679-02-0 molecular structure
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λ1-rhodium(1+) ion bis(acetonitrile) cycloocta-1,5-diene tetrafluoroboranuide

ChemBase ID: 142222
Molecular Formular: C12H18BF4N2Rh
Molecular Mass: 379.9948328
Monoisotopic Mass: 380.05542087
SMILES and InChIs

SMILES:
[B-](F)(F)(F)F.CC#N.CC#N.C1C=CCCC=CC1.[Rh+]
Canonical SMILES:
C1CC=CCCC=C1.F[B-](F)(F)F.CC#N.CC#N.[Rh+]
InChI:
InChI=1S/C8H12.2C2H3N.BF4.Rh/c1-2-4-6-8-7-5-3-1;2*1-2-3;2-1(3,4)5;/h1-2,7-8H,3-6H2;2*1H3;;/q;;;-1;+1
InChIKey:
KSMAFOANQHYEJG-UHFFFAOYSA-N

Cite this record

CBID:142222 http://www.chembase.cn/molecule-142222.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
λ1-rhodium(1+) ion bis(acetonitrile) cycloocta-1,5-diene tetrafluoroboranuide
IUPAC Traditional name
λ1-rhodium(1+) ion 1,5-cyclooctadiene bis(acetonitrile) tetrafluoroborate
Synonyms
Bis(acetonitrile)(1,5-cyclooctadiene)rhodium(I)tetrafluoroborate
二(乙腈)(1,5-环辛二烯)四氟硼酸铑(I)
CAS Number
32679-02-0
MDL Number
MFCD06798085
PubChem SID
162236452
24883086
PubChem CID
11132655

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
640360 external link Add to cart Please log in.
Data Source Data ID
PubChem 11132655 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.832706  LogD (pH = 7.4) 2.832706 
Log P 2.832706  Molar Refractivity 39.0412 cm3
Polarizability 14.319889 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Empirical Formula (Hill Notation)
C12H18BF4N2Rh expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 640360 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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