Home > Compound List > Compound details
15145-69-4 molecular structure
click picture or here to close

1-chloro-3-(dichloromethyl)benzene

ChemBase ID: 295773
Molecular Formular: C7H5Cl3
Molecular Mass: 195.4736
Monoisotopic Mass: 193.9456832
SMILES and InChIs

SMILES:
c1cc(cc(c1)Cl)C(Cl)Cl
Canonical SMILES:
Clc1cccc(c1)C(Cl)Cl
InChI:
InChI=1S/C7H5Cl3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,7H
InChIKey:
ACNQJGLSENYFQJ-UHFFFAOYSA-N

Cite this record

CBID:295773 http://www.chembase.cn/molecule-295773.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloro-3-(dichloromethyl)benzene
IUPAC Traditional name
1-chloro-3-(dichloromethyl)benzene
Synonyms
alpha,alpha,3-Trichlorotoluene
3-Chlorobenzal chloride
3-氯二氯甲基苯
CAS Number
15145-69-4
EC Number
239-206-2
MDL Number
MFCD00082691
PubChem SID
180681304
PubChem CID
84803

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
B21973 external link Add to cart Please log in.
Data Source Data ID
PubChem 84803 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8332329  LogD (pH = 7.4) 3.8332329 
Log P 3.8332329  Molar Refractivity 45.7838 cm3
Polarizability 17.749361 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
235-237°C expand Show data source
Flash Point
>110°C(230°F) expand Show data source
Density
1.38 expand Show data source
Refractive Index
1.5660 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3265 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P280-P303+P361+P353-P305+P351+P338-P310 expand Show data source
Purity
95% 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