Home > Compound List > Compound details
57602-02-5 molecular structure
click picture or here to close

1,14-dibromo-3,6,9,12-tetraoxatetradecane

ChemBase ID: 68473
Molecular Formular: C10H20Br2O4
Molecular Mass: 364.0714
Monoisotopic Mass: 361.97283312
SMILES and InChIs

SMILES:
C(COCCOCCOCCOCCBr)Br
Canonical SMILES:
BrCCOCCOCCOCCOCCBr
InChI:
InChI=1S/C10H20Br2O4/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h1-10H2
InChIKey:
VYNNYZUBABMNTB-UHFFFAOYSA-N

Cite this record

CBID:68473 http://www.chembase.cn/molecule-68473.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,14-dibromo-3,6,9,12-tetraoxatetradecane
IUPAC Traditional name
1,14-dibromo-3,6,9,12-tetraoxatetradecane
Synonyms
1,14-Dibromo-3,6,9,12-tetraoxatetradecane
CAS Number
57602-02-5
MDL Number
MFCD07369317
PubChem SID
162034204
PubChem CID
11089808

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6835932  LogD (pH = 7.4) 1.6835932 
Log P 1.6835932  Molar Refractivity 70.7966 cm3
Polarizability 27.756279 Å3 Polar Surface Area 36.92 Å2
Rotatable Bonds 13  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Apperance
Clear Light Yellow Liquid expand Show data source
Storage Condition
Refrigerator expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D425480 external link
A cross-linking reagent.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle