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706-08-1 molecular structure
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1-ethenyl-4-fluorobenzene

ChemBase ID: 9842
Molecular Formular: C8H7F
Molecular Mass: 122.1395832
Monoisotopic Mass: 122.05317844
SMILES and InChIs

SMILES:
c1c(ccc(c1)C=C)F
Canonical SMILES:
C=Cc1ccc(cc1)F
InChI:
InChI=1S/C8H7F/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InChIKey:
JWVTWJNGILGLAT-UHFFFAOYSA-N

Cite this record

CBID:9842 http://www.chembase.cn/molecule-9842.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethenyl-4-fluorobenzene
IUPAC Traditional name
benzene, 1-ethenyl-4-fluoro-
Synonyms
4-Fluorostyrene
4-Fluorostyrene
1-Fluoro-4-vinylbenzene
4-Fluorostyrene 98%
1-Fluoro-4-(2-nitrovinyl)benzene
1-(4-Fluorophenyl)-2-nitroethylene
4-Fluoro-beta-nitrostyrene 98%
p-FLUOROSTYRENE
4-氟苯乙烯
CAS Number
706-08-1
405-99-2
EC Number
206-975-0
MDL Number
MFCD00000361
MFCD00024824
Beilstein Number
1634203
PubChem SID
160973149
24849567
PubChem CID
67883

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.85265  LogD (pH = 7.4) 2.85265 
Log P 2.85265  Molar Refractivity 35.9607 cm3
Polarizability 13.489819 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)
Melting Point
100-102°C expand Show data source
-36°C expand Show data source
Boiling Point
145-148°C expand Show data source
145-148°C expand Show data source
67 °C/50 mmHg(lit.) expand Show data source
67°C @ 50 mm Hg expand Show data source
67°C/50mm expand Show data source
Flash Point
26°C expand Show data source
26.6°C expand Show data source
26°C(78°F) expand Show data source
35 °C expand Show data source
95 °F expand Show data source
Density
1.02 expand Show data source
1.02 g/ml expand Show data source
1.024 expand Show data source
1.024 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.515 expand Show data source
1.5150 expand Show data source
n20/D 1.514(lit.) expand Show data source
Storage Condition
2-8°C expand Show data source
Storage Warning
Flammable/Keep Cold expand Show data source
Harmful/Corrosive expand Show data source
KEEP COLD, FLAMMABLE expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
UN1993 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Australian Hazchem
3Y expand Show data source
Risk Statements
10 expand Show data source
10-36/37/38 expand Show data source
R:10 expand Show data source
Safety Statements
23-24/25 expand Show data source
26-37 expand Show data source
S:9-16 expand Show data source
EU Classification
F1 expand Show data source
EU Hazard Identification Number
3B expand Show data source
Emergency Response Guidebook(ERG) Number
128 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 Signal Word
Warning expand Show data source
GHS Hazard statements
H226 expand Show data source
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A 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
RID/ADR
UN 1993 3/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
97+%, stab. with 0.1% 4-tert-butylcatechol expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Contains
tert-butylcatechol as inhibitor expand Show data source
Linear Formula
H2C=CHC6H4F expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02158146 external link
1 ml = approx. 1.02 g
Contains 0.1% p-t-butyl-catechol as stabilizer.
Apollo Scientific Ltd - PC4250 external link
Inhibited with 4-tert-Butylcatechol
Sigma Aldrich - 155799 external link
Packaging
1, 10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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