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372-20-3 molecular structure
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3-fluorophenol

ChemBase ID: 8313
Molecular Formular: C6H5FO
Molecular Mass: 112.1017032
Monoisotopic Mass: 112.032443
SMILES and InChIs

SMILES:
c1(F)cc(O)ccc1
Canonical SMILES:
Oc1cccc(c1)F
InChI:
InChI=1S/C6H5FO/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKey:
SJTBRFHBXDZMPS-UHFFFAOYSA-N

Cite this record

CBID:8313 http://www.chembase.cn/molecule-8313.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-fluorophenol
IUPAC Traditional name
M-fluorophenol
Synonyms
3-Fluorophenol
3-Fluorophenol
3-Fluorophenol 98%
m-FLUOROPHENOL
3-氟苯酚
CAS Number
372-20-3
370-20-3
EC Number
206-748-6
MDL Number
MFCD00002254
Beilstein Number
1904536
PubChem SID
24870819
24894758
160971620
PubChem CID
9743

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.568224  H Acceptors
H Donor LogD (pH = 5.5) 1.8120139 
LogD (pH = 7.4) 1.7840471  Log P 1.8123825 
Molar Refractivity 28.2553 cm3 Polarizability 10.620208 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
12-14°C expand Show data source
14°C expand Show data source
8-12 °C(lit.) expand Show data source
8-12°C expand Show data source
Boiling Point
177-179°C expand Show data source
178 °C(lit.) expand Show data source
178°C expand Show data source
Flash Point
159.8 °F expand Show data source
71 °C expand Show data source
71°C expand Show data source
71°C(159°F) expand Show data source
Density
1.22 g/ml expand Show data source
1.238 expand Show data source
1.238 g/mL at 25 °C(lit.) expand Show data source
1.246 expand Show data source
Refractive Index
1.514 expand Show data source
1.5140 expand Show data source
n20/D 1.514(lit.) expand Show data source
n20/D 1.516 expand Show data source
Storage Condition
2-8°C expand Show data source
Storage Warning
IRRITANT, TOXIC expand Show data source
Toxic/Harmful/Irritant/Corrosive/Store under Argon expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Toxic Toxic (T) expand Show data source
X expand Show data source
UN Number
2810 expand Show data source
UN2922 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
6.1 expand Show data source
8 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
21/22-34 expand Show data source
25-37/38-41 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
26-39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H318 expand Show data source
H314-H318-H302-H312-H227 expand Show data source
GHS Precautionary statements
P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P280-P301 + P310-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
RID/ADR
UN 2810 6.1/PG 3 expand Show data source
Purity
≥97.0% (GC) expand Show data source
96% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
FC6H4OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02158135 external link
Yellow liquid
1 ml = approx. 1.22 g
Sigma Aldrich - F13002 external link
Packaging
10, 50, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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