Home > Compound List > Compound details
27175-81-1 molecular structure
click picture or here to close

(9-chlorononyl)benzene

ChemBase ID: 302185
Molecular Formular: C15H23Cl
Molecular Mass: 238.79612
Monoisotopic Mass: 238.14882842
SMILES and InChIs

SMILES:
c1ccc(cc1)CCCCCCCCCCl
Canonical SMILES:
ClCCCCCCCCCc1ccccc1
InChI:
InChI=1S/C15H23Cl/c16-14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15/h6,8-9,12-13H,1-5,7,10-11,14H2
InChIKey:
KFJDHWCTDWNJTP-UHFFFAOYSA-N

Cite this record

CBID:302185 http://www.chembase.cn/molecule-302185.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(9-chlorononyl)benzene
IUPAC Traditional name
(9-chlorononyl)benzene
Synonyms
9-Phenyl-n-nonyl chloride
1-Chloro-9-phenylnonane
1-氯-9-苯基壬烷
CAS Number
27175-81-1
MDL Number
MFCD00039395
Beilstein Number
6289668

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar L10271 external link Add to cart
Data Source Data ID Price
Alfa Aesar
L10271 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.9611297  LogD (pH = 7.4) 5.9611297 
Log P 5.9611297  Molar Refractivity 72.8869 cm3
Polarizability 28.667088 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
110-112°C/0.2mm expand Show data source
Density
1.026 expand Show data source
Refractive Index
1.5028 expand Show data source
TSCA Listed
expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

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