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369-36-8 molecular structure
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2-fluoro-5-nitroaniline

ChemBase ID: 7621
Molecular Formular: C6H5FN2O2
Molecular Mass: 156.1145032
Monoisotopic Mass: 156.03350563
SMILES and InChIs

SMILES:
c1(c(ccc(c1)[N+](=O)[O-])F)N
Canonical SMILES:
[O-][N+](=O)c1ccc(c(c1)N)F
InChI:
InChI=1S/C6H5FN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
InChIKey:
KJVBJICWGQIMOZ-UHFFFAOYSA-N

Cite this record

CBID:7621 http://www.chembase.cn/molecule-7621.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-5-nitroaniline
IUPAC Traditional name
2-fluoro-5-nitroaniline
Synonyms
2-Fluoro-5-nitroaniline
2-Fluoro-5-nitroaniline
3-Amino-4-fluoronitrobenzene
2-Fluoro-5-nitroaniline 98%
2-Fluoro-5-nitroaniline 96%
2-氟-5-硝基苯胺
CAS Number
369-36-8
EC Number
206-720-3
MDL Number
MFCD00007652
Beilstein Number
2803491
PubChem SID
24849574
24870709
160970928
PubChem CID
67785

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.22416  H Acceptors
H Donor LogD (pH = 5.5) 1.2270048 
LogD (pH = 7.4) 1.227006  Log P 1.227006 
Molar Refractivity 37.2953 cm3 Polarizability 13.163486 Å3
Polar Surface Area 69.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
97-100 °C(lit.) expand Show data source
97-103°C expand Show data source
99-101°C expand Show data source
99-103°C expand Show data source
Flash Point
195.8 °F expand Show data source
91 °C expand Show data source
91°C expand Show data source
91°C(195°F) expand Show data source
Storage Warning
IRRITANT expand Show data source
Toxic/Irritant/Light Sensitive/Keep Cold expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
X expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1325 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
4.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-36/37/38 expand Show data source
20/21/22-36/37/38 expand Show data source
Safety Statements
16-26-36 expand Show data source
9-26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS02 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
H228-H315-H319-H335 expand Show data source
H301-H311-H332-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P261-P305 + P351 + P338 expand Show data source
P261-P301+P310-P305+P351+P338-P361-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 1325 4.1/PG 2 expand Show data source
Purity
≥97.0% (HPLC) expand Show data source
97% expand Show data source
98% expand Show data source
98+% expand Show data source
Grade
purum expand Show data source
Linear Formula
FC6H3(NO2)NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 155853 external link
Packaging
25, 100 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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