Home > Compound List > Compound details
345-83-5 molecular structure
click picture or here to close

2-chloro-1,4-difluorobenzene

ChemBase ID: 7054
Molecular Formular: C6H3ClF2
Molecular Mass: 148.5378264
Monoisotopic Mass: 147.98913422
SMILES and InChIs

SMILES:
c1(Cl)c(F)ccc(c1)F
Canonical SMILES:
Fc1ccc(c(c1)Cl)F
InChI:
InChI=1S/C6H3ClF2/c7-5-3-4(8)1-2-6(5)9/h1-3H
InChIKey:
XWCKSJOUZQHFKI-UHFFFAOYSA-N

Cite this record

CBID:7054 http://www.chembase.cn/molecule-7054.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-1,4-difluorobenzene
IUPAC Traditional name
2-chloro-1,4-difluorobenzene
Synonyms
1-Chloro-2,5-difluorobenzene
4-FLUOROBENZOPHENONE
2-Chloro-1,4-difluorobenzene
1-Chloro-2,5-difluorobenzene
2-Chloro-1,4-difluorobenzene
2,5-Difluorochlorobenzene 98%
2,5-Difluorochlorobenzene
2-Chloro-1,4-difluorobenzene
2-氯-1,4-二氟苯
CAS Number
345-83-5
2367-91-1
EC Number
206-463-7
MDL Number
MFCD00042571
Beilstein Number
2081082
PubChem SID
160970361
PubChem CID
137561

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8626943  LogD (pH = 7.4) 2.8626943 
Log P 2.8626943  Molar Refractivity 31.2956 cm3
Polarizability 11.751637 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
126-128°C expand Show data source
126-128°C expand Show data source
Flash Point
20°C expand Show data source
20°C(68°F) expand Show data source
Density
1.352 expand Show data source
Refractive Index
1.479 expand Show data source
1.4790 expand Show data source
Storage Warning
Highly Flammable/Irritant expand Show data source
IRRITANT, FLAMMABLE expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
UN1993 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Hazard Class
3 expand Show data source
Packing Group
II expand Show data source
Risk Statements
11-36/37/38 expand Show data source
Safety Statements
16-23-26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Hazard statements
H225-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P261-P280G-P305+P351+P338 expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05201183 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