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367-30-6 molecular structure
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2,5-difluoroaniline

ChemBase ID: 9028
Molecular Formular: C6H5F2N
Molecular Mass: 129.1074064
Monoisotopic Mass: 129.03900561
SMILES and InChIs

SMILES:
c1(ccc(c(c1)N)F)F
Canonical SMILES:
Fc1ccc(c(c1)N)F
InChI:
InChI=1S/C6H5F2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
InChIKey:
YNOOQIUSYGWMSS-UHFFFAOYSA-N

Cite this record

CBID:9028 http://www.chembase.cn/molecule-9028.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-difluoroaniline
IUPAC Traditional name
2,5-difluoroaniline
Synonyms
2,5-Difluoroaniline 98%
2,5-Difluoroaniline
2,5-Difluoroaniline
2,5-二氟苯胺
CAS Number
367-30-6
EC Number
206-690-1
MDL Number
MFCD00007651
Beilstein Number
2802549
PubChem SID
24862930
160972335
24851774
PubChem CID
67775

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.72996  H Acceptors
H Donor LogD (pH = 5.5) 1.4297004 
LogD (pH = 7.4) 1.4297234  Log P 1.4297237 
Molar Refractivity 31.1912 cm3 Polarizability 10.91794 Å3
Polar Surface Area 26.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
11-13 °C(lit.) expand Show data source
11-14°C expand Show data source
13-14°C expand Show data source
13-14°C expand Show data source
Boiling Point
171-174°C expand Show data source
171-178°C expand Show data source
176-178 °C(lit.) expand Show data source
176-178°C expand Show data source
Flash Point
150.8 °F expand Show data source
66 °C expand Show data source
68°C expand Show data source
68°C(154°F) expand Show data source
Density
1.28 g/ml expand Show data source
1.285 expand Show data source
1.288 expand Show data source
1.288 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.513 expand Show data source
1.5130 expand Show data source
n20/D 1.513 expand Show data source
n20/D 1.513(lit.) expand Show data source
Storage Warning
IRRITANT, TOXIC expand Show data source
Toxic/Harmful/Irritant/Light Sensitive/Keep Cold expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
UN2941 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
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
20/21/22 expand Show data source
20/21/22-33-36/38 expand Show data source
Safety Statements
26-28-36/37 expand Show data source
28-36/37/39 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H317-H332 expand Show data source
H311-H331-H302-H315-H319-H373-H227 expand Show data source
GHS Precautionary statements
P280 expand Show data source
P280H-P305+P351+P338-P302+P352-P309-P310 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
Purity
≥98.0% (GC) expand Show data source
98% expand Show data source
99% expand Show data source
99.5% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
F2C6H3NH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02157699 external link
1 ml = approx. 1.28 g
MP Biomedicals - 05203016 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 196606 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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