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369-35-7 molecular structure
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2-fluoro-4-nitroaniline

ChemBase ID: 16311
Molecular Formular: C6H5FN2O2
Molecular Mass: 156.1145032
Monoisotopic Mass: 156.03350563
SMILES and InChIs

SMILES:
c1c(cc(c(c1)N)F)[N+](=O)[O-]
Canonical SMILES:
[O-][N+](=O)c1ccc(c(c1)F)N
InChI:
InChI=1S/C6H5FN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2
InChIKey:
LETNCFZQCNCACQ-UHFFFAOYSA-N

Cite this record

CBID:16311 http://www.chembase.cn/molecule-16311.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-4-nitroaniline
IUPAC Traditional name
2-fluoro-4-nitroaniline
Synonyms
2-Fluoro-4-nitroaniline
2-Fluoro-4-nitroaniline
4-Amino-3-fluoronitrobenzene
2-fluoro-4-nitrophenylamine
2-氟-4-硝基苯胺
CAS Number
369-35-7
EC Number
206-719-8
MDL Number
MFCD00034560
PubChem SID
160979618
24885306
PubChem CID
101254

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.316715  H Acceptors
H Donor LogD (pH = 5.5) 1.2270052 
LogD (pH = 7.4) 1.227006  Log P 1.227006 
Molar Refractivity 37.2953 cm3 Polarizability 13.163191 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
122-130 °C expand Show data source
122-130°C expand Show data source
Hydrophobicity(logP)
1.347 expand Show data source
Storage Warning
IRRITANT, IRRITANT-HARMFUL expand Show data source
Toxic/Harmful/Light Sensitive/Keep Cold 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
20/21/22 expand Show data source
Safety Statements
36/37 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H332 expand Show data source
GHS Precautionary statements
P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C6H5FN2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 675881 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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