Home > Compound List > Compound details
701-83-7 molecular structure
click picture or here to close

3-fluorophenyl acetate

ChemBase ID: 8315
Molecular Formular: C8H7FO2
Molecular Mass: 154.1383832
Monoisotopic Mass: 154.04300768
SMILES and InChIs

SMILES:
CC(=O)Oc1cc(ccc1)F
Canonical SMILES:
CC(=O)Oc1cccc(c1)F
InChI:
InChI=1S/C8H7FO2/c1-6(10)11-8-4-2-3-7(9)5-8/h2-5H,1H3
InChIKey:
IAWZWMGUTKRLQB-UHFFFAOYSA-N

Cite this record

CBID:8315 http://www.chembase.cn/molecule-8315.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-fluorophenyl acetate
IUPAC Traditional name
3-fluorophenyl acetate
Synonyms
1-Acetoxy-3-fluorobenzene
3-Fluorophenyl acetate 98%
3-Fluorophenyl acetate
3-Fluorophenyl acetate
3-氟苯基乙酸酯
CAS Number
701-83-7
MDL Number
MFCD00142578
Beilstein Number
2555261
PubChem SID
160971622
24882944
PubChem CID
136542

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7232088  LogD (pH = 7.4) 1.7232088 
Log P 1.7232088  Molar Refractivity 37.4068 cm3
Polarizability 14.469653 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
77-78 °C/13 mmHg(lit.) expand Show data source
77-78°C/13mm expand Show data source
77-78°C/13mm expand Show data source
Flash Point
167 °F expand Show data source
75 °C expand Show data source
76°C(169°F) expand Show data source
Density
1.147 g/mL at 25 °C(lit.) expand Show data source
1.15 expand Show data source
Refractive Index
1.478 expand Show data source
1.4780 expand Show data source
n20/D 1.4800(lit.) expand Show data source
Storage Warning
Harmful expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38-43 expand Show data source
Safety Statements
26 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H227 expand Show data source
H302-H315-H317-H318-H335 expand Show data source
GHS Precautionary statements
P210-P280-P370+P378A-P403+P235-P501A expand Show data source
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C8H7FO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 638498 external link
Packaging
5 g in glass bottle

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