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16297-14-6 molecular structure
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2,3,5,6-tetrafluoro-4-methylpyridine

ChemBase ID: 94193
Molecular Formular: C6H3F4N
Molecular Mass: 165.0883328
Monoisotopic Mass: 165.02016198
SMILES and InChIs

SMILES:
n1c(c(c(c(c1F)F)C)F)F
Canonical SMILES:
Fc1nc(F)c(c(c1F)C)F
InChI:
InChI=1S/C6H3F4N/c1-2-3(7)5(9)11-6(10)4(2)8/h1H3
InChIKey:
VMJPFTHPDLREJZ-UHFFFAOYSA-N

Cite this record

CBID:94193 http://www.chembase.cn/molecule-94193.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3,5,6-tetrafluoro-4-methylpyridine
IUPAC Traditional name
2,3,5,6-tetrafluoro-4-methylpyridine
Synonyms
4-Methyl-2,3,5,6-tetrafluoropyridine 99%+
2,3,5,6-Tetrafluoro-4-methylpyridine
2,3,5,6-四氟-4-甲基吡啶
CAS Number
16297-14-6
MDL Number
MFCD00012345
PubChem SID
162080848
PubChem CID
4661316

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4661316 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6276639  LogD (pH = 7.4) 2.6276639 
Log P 2.6276639  Molar Refractivity 31.8373 cm3
Polarizability 10.543908 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
130-131 °C(lit.) expand Show data source
130-131°C expand Show data source
Flash Point
32 °C expand Show data source
89.6 °F expand Show data source
Density
1.44 expand Show data source
1.44 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.414 expand Show data source
n20/D 1.414(lit.) expand Show data source
Storage Warning
Flammable/Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
MSDS Link
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
Risk Statements
10-36/37/38 expand Show data source
Safety Statements
16-26-36/37/39 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-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 1993 3/PG 3 expand Show data source
Purity
99% expand Show data source
Empirical Formula (Hill Notation)
C6H3F4N expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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