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4325-50-2 molecular structure
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2-chloro-2-methylnonane

ChemBase ID: 303732
Molecular Formular: C10H21Cl
Molecular Mass: 176.72674
Monoisotopic Mass: 176.13317835
SMILES and InChIs

SMILES:
CCCCCCCC(C)(C)Cl
Canonical SMILES:
CCCCCCCC(Cl)(C)C
InChI:
InChI=1S/C10H21Cl/c1-4-5-6-7-8-9-10(2,3)11/h4-9H2,1-3H3
InChIKey:
QDJXQCKHBZEIJM-UHFFFAOYSA-N

Cite this record

CBID:303732 http://www.chembase.cn/molecule-303732.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-2-methylnonane
IUPAC Traditional name
2-chloro-2-methylnonane
Synonyms
2-Chloro-2-methylnonane
2-氯-2-甲基壬烷
CAS Number
4325-50-2
MDL Number
MFCD00060781

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.63534  LogD (pH = 7.4) 4.63534 
Log P 4.63534  Molar Refractivity 52.6469 cm3
Polarizability 20.968636 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
Liquid expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
UN3082 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
III expand Show data source
Risk Statements
36/38-50/53 expand Show data source
Safety Statements
26-37-60-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Hazard statements
H400-H410-H315-H319 expand Show data source
GHS Precautionary statements
P280-P305+P351+P338-P302+P352-P321-P362-P501A expand Show data source
Purity
90+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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