Home > Compound List > Compound details
64473-34-3 molecular structure
click picture or here to close

1-chloro-4-(3-chloropropyl)benzene

ChemBase ID: 10679
Molecular Formular: C9H10Cl2
Molecular Mass: 189.0817
Monoisotopic Mass: 188.01595568
SMILES and InChIs

SMILES:
c1c(ccc(c1)CCCCl)Cl
Canonical SMILES:
ClCCCc1ccc(cc1)Cl
InChI:
InChI=1S/C9H10Cl2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6H,1-2,7H2
InChIKey:
FYUVHLUSUWWUPY-UHFFFAOYSA-N

Cite this record

CBID:10679 http://www.chembase.cn/molecule-10679.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloro-4-(3-chloropropyl)benzene
IUPAC Traditional name
1-chloro-4-(3-chloropropyl)benzene
Synonyms
3-(4'-Chlorophenyl)propyl chloride
3(p-CHLOROPHENYL)PROPYL CHLORIDE
1-chloro-4-(3-chloropropyl)benzene
1-Chloro-3-(4-chlorophenyl)propane
CAS Number
64473-34-3
MDL Number
MFCD00045302
PubChem SID
160973986
PubChem CID
2735720

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8977625  LogD (pH = 7.4) 3.8977625 
Log P 3.8977625  Molar Refractivity 50.0857 cm3
Polarizability 19.453466 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)
Boiling Point
135-138°C/0.15mm expand Show data source
75°C/ .3mm expand Show data source
Hydrophobicity(logP)
4.125 expand Show data source
Storage Warning
IRRITANT expand Show data source
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
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05204397 external link
MP Biomedicals Rare Chemical collection

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