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75180-85-7 molecular structure
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N-(3-{[2,6-bis(propan-2-yl)phenyl]imino}butan-2-ylidene)-2,6-bis(propan-2-yl)aniline; dibromonickel

ChemBase ID: 141506
Molecular Formular: C28H40Br2N2Ni
Molecular Mass: 623.132
Monoisotopic Mass: 620.09116619
SMILES and InChIs

SMILES:
CC(c1c(c(ccc1)C(C)C)/N=C(/C(=N/c1c(cccc1C(C)C)C(C)C)/C)\C)C.[Ni](Br)Br
Canonical SMILES:
CC(c1cccc(c1/N=C(/C(=N/c1c(cccc1C(C)C)C(C)C)/C)\C)C(C)C)C.Br[Ni]Br
InChI:
InChI=1S/C28H40N2.2BrH.Ni/c1-17(2)23-13-11-14-24(18(3)4)27(23)29-21(9)22(10)30-28-25(19(5)6)15-12-16-26(28)20(7)8;;;/h11-20H,1-10H3;2*1H;/q;;;+2/p-2
InChIKey:
YIJNSXZCHXCBSZ-UHFFFAOYSA-L

Cite this record

CBID:141506 http://www.chembase.cn/molecule-141506.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-{[2,6-bis(propan-2-yl)phenyl]imino}butan-2-ylidene)-2,6-bis(propan-2-yl)aniline; dibromonickel
IUPAC Traditional name
N-{3-[(2,6-diisopropylphenyl)imino]butan-2-ylidene}-2,6-diisopropylaniline; dibromonickel
Synonyms
Diacetyl-bis(2,6-diisopropylphenylimine)nickel(II) dibromide
2,3-Bis(2,6-diisopropylphenylimino)butane nickel(II) dibromide
二乙酰基-双(2,6-二异丙苯基亚胺)二溴化镍(II)
2,3-双(2,6-二异丙苯基亚氨基)丁烷二溴化镍(II)
CAS Number
75180-85-7
MDL Number
MFCD06796948
PubChem SID
162235740
PubChem CID
10941170

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
690392 external link Add to cart Please log in.
Data Source Data ID
PubChem 10941170 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 9.652317  LogD (pH = 7.4) 9.698432 
Log P 9.699053  Molar Refractivity 135.7952 cm3
Polarizability 50.604362 Å3 Polar Surface Area 24.72 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
45-22-43-50/53 expand Show data source
Safety Statements
53-36/37-45-60-61 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H317-H331-H334-H341-H350i-H360-H372-H410 expand Show data source
GHS Precautionary statements
P201-P261-P273-P280-P301 + P310-P311 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
Purity
≥97.0% (AT) expand Show data source
Empirical Formula (Hill Notation)
C28H40Br2N2Ni expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 690392 external link
Packaging
100 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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