Home > Compound List > Compound details
261762-42-9 molecular structure
click picture or here to close

2-chloro-3,6-difluorobenzoyl chloride

ChemBase ID: 7284
Molecular Formular: C7H2Cl2F2O
Molecular Mass: 210.9929864
Monoisotopic Mass: 209.94507648
SMILES and InChIs

SMILES:
c1cc(c(c(c1F)C(=O)Cl)Cl)F
Canonical SMILES:
Fc1ccc(c(c1Cl)C(=O)Cl)F
InChI:
InChI=1S/C7H2Cl2F2O/c8-6-4(11)2-1-3(10)5(6)7(9)12/h1-2H
InChIKey:
CBFPZKKUVNEIFF-UHFFFAOYSA-N

Cite this record

CBID:7284 http://www.chembase.cn/molecule-7284.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-3,6-difluorobenzoyl chloride
IUPAC Traditional name
2-chloro-3,6-difluorobenzoyl chloride
Synonyms
2-Chloro-3,6-difluorobenzoyl chloride
2-Chloro-3,6-difluorobenzoyl chloride 98%
2-Chloro-3,6-difluorobenzoyl chloride
2-氯-3,6-二氟苯甲酰氯
CAS Number
261762-42-9
EC Number
000-000-0
MDL Number
MFCD01631442
PubChem SID
160970591
PubChem CID
2773536

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2773536 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.053607  LogD (pH = 7.4) 3.053607 
Log P 3.053607  Molar Refractivity 42.4103 cm3
Polarizability 15.730498 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Refractive Index
1.51 expand Show data source
1.5100 expand Show data source
Storage Warning
Corrosive/Irritant expand Show data source
Moisture Sensitive expand Show data source
MOISTURE SENSITIVE, CORROSIVE expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3265 expand Show data source
MSDS Link
Download 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
23-26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A 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