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367-12-4 molecular structure
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367-12-4 molecular structure
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2-fluorophenol

ChemBase ID: 97152
Molecular Formular: C6H5FO
Molecular Mass: 112.1017032
Monoisotopic Mass: 112.032443
SMILES and InChIs

SMILES:
 Oc1c(cccc1)F
Canonical SMILES:
 Oc1ccccc1F
InChI:
 InChI=1S/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKey:
 HFHFGHLXUCOHLN-UHFFFAOYSA-N

Cite this record

CBID:97152 http://www.chembase.cn/molecule-97152.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluorophenol
IUPAC Traditional name
O-fluorophenol
Synonyms
2-Fluorophenol 99%
o-FLUOROPHENOL
2-fluorophenol
2-Fluorophenol
2-氟苯酚
CAS Number
367-12-4
EC Number
206-681-2
MDL Number
MFCD00002155
Beilstein Number
1905112
PubChem SID
162083765
24870811
24867810
24894757
PubChem CID
9707

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich F12804 external link Add to cart 47260 external link Add to cart 442350 external link Add to cart
MP Biomedicals 05215838 external link Add to cart
Alfa Aesar A14979 external link Add to cart
Apollo Scientific PC4070 external link Add to cart
Maybridge SB00849 external link Add to cart
A&J Pharmtech AJA-O1542 external link Add to cart
PubChem 9707 external link
Chemik CHB83108 external link Add to cart
Bide Pharmatech BD41633
Data Source Data ID Price
Sigma Aldrich
F12804 external link Add to cart Please log in.
47260 external link Add to cart Please log in.
442350 external link Add to cart Please log in.
MP Biomedicals
05215838 external link Add to cart Please log in.
Alfa Aesar
A14979 external link Add to cart Please log in.
Apollo Scientific
PC4070 external link Add to cart Please log in.
Maybridge
SB00849 external link Add to cart Please log in.
A&J Pharmtech
AJA-O1542 external link Add to cart Please log in.
Chemik
CHB83108 external link Add to cart Please log in.
Bide Pharmatech
BD41633 Please log in.
Data Source Data ID
PubChem 9707 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.445307  H Acceptors 1 
H Donor 1  LogD (pH = 5.5) 1.8118938 
LogD (pH = 7.4) 1.7752103  Log P 1.8123825 
Molar Refractivity 28.2553 cm3 Polarizability 10.620551 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds 0 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
14-16°C expand Show data source
14-16°C expand Show data source
16.1 °C(lit.) expand Show data source
Boiling Point
150-152°C expand Show data source
171-172 °C/741 mmHg(lit.) expand Show data source
171-172°C expand Show data source
Flash Point
116.6 °F expand Show data source
46°C(114°F) expand Show data source
47 °C expand Show data source
47°C expand Show data source
Density
1.215 expand Show data source
1.256 expand Show data source
1.256 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.514 expand Show data source
1.5140 expand Show data source
n20/D 1.511(lit.) expand Show data source
n20/D 1.515 expand Show data source
Storage Warning
Flammable/Harmful/Store under Argon expand Show data source
RTECS
SL4530000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1993 expand Show data source
UN2924 expand Show data source
MSDS Link
Download expand Show data source
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
Risk Statements
10-21/22-34 expand Show data source
20/21/22 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
28-36/37 expand Show data source
TSCA Listed
是 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H302-H312-H332 expand Show data source
H301-H311-H314-H318-H226 expand Show data source
GHS Precautionary statements
P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A expand Show data source
P280 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
Purity
≥98.0% (GC) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
analytical standard expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
ampule of 1000 mg expand Show data source
Linear Formula
FC6H4OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05215838 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - F12804 external link
Packaging
10, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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