Home > Compound List > Compound details
65796-00-1 molecular structure
click picture or here to close

1-(chloromethyl)-4-(trifluoromethoxy)benzene

ChemBase ID: 9207
Molecular Formular: C8H6ClF3O
Molecular Mass: 210.5808496
Monoisotopic Mass: 210.00592715
SMILES and InChIs

SMILES:
c1c(ccc(c1)CCl)OC(F)(F)F
Canonical SMILES:
ClCc1ccc(cc1)OC(F)(F)F
InChI:
InChI=1S/C8H6ClF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
InChIKey:
LBMKFQMJURUPKC-UHFFFAOYSA-N

Cite this record

CBID:9207 http://www.chembase.cn/molecule-9207.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(chloromethyl)-4-(trifluoromethoxy)benzene
IUPAC Traditional name
1-(chloromethyl)-4-(trifluoromethoxy)benzene
Synonyms
4-(Trifluoromethoxy)benzyl chloride
4-(Trifluoromethoxy)benzyl chloride 97%
4-(Trifluoromethoxy)benzyl chloride
1-(chloromethyl)-4-(trifluoromethoxy)benzene
4-(三氟甲氧基)苄氯
CAS Number
65796-00-1
MDL Number
MFCD00052326
PubChem SID
160972514
PubChem CID
2777261

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9915996  LogD (pH = 7.4) 3.9915996 
Log P 3.9915996  Molar Refractivity 38.9952 cm3
Polarizability 16.016466 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
81-83°C/15mm expand Show data source
Storage Warning
CORROSIVE expand Show data source
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
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
P280-P305+P351+P338-P309-P310 expand Show data source
Purity
97% expand Show data source
98% 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