Home > Compound List > Compound details
461-87-0 molecular structure
click picture or here to close

2-fluoro-4-methylpyridine

ChemBase ID: 7529
Molecular Formular: C6H6FN
Molecular Mass: 111.1169432
Monoisotopic Mass: 111.04842742
SMILES and InChIs

SMILES:
c1cnc(cc1C)F
Canonical SMILES:
Cc1ccnc(c1)F
InChI:
InChI=1S/C6H6FN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3
InChIKey:
ZBFAXMKJADVOGH-UHFFFAOYSA-N

Cite this record

CBID:7529 http://www.chembase.cn/molecule-7529.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-4-methylpyridine
IUPAC Traditional name
2-fluoro-4-methylpyridine
Synonyms
2-Fluoro-4-picoline
2-Fluoro-4-methylpyridine
2-Fluoro-4-methylpyridine
2-Fluoro-4-picoline
2-Fluoro-4-methylpyridine 97%
2-氟-4-皮考林
2-氟-4-甲基吡啶
CAS Number
461-87-0
EC Number
000-000-0
MDL Number
MFCD00041224
Beilstein Number
107086
PubChem SID
24877948
160970836
PubChem CID
2737403

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8056263  LogD (pH = 7.4) 1.8056273 
Log P 1.8056273  Molar Refractivity 30.1734 cm3
Polarizability 10.867233 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
155-156°C expand Show data source
155-156°C expand Show data source
160-161 °C(lit.) expand Show data source
Flash Point
>110°C expand Show data source
51°C(123°F) expand Show data source
Density
1.078 expand Show data source
1.078 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4725 expand Show data source
n20/D 1.472(lit.) expand Show data source
Hydrophobicity(logP)
1.371 expand Show data source
Storage Warning
Flammable/Irritant/Store under Argon expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
UN1993 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
Hazard Class
3 expand Show data source
Packing Group
III expand Show data source
Risk Statements
10-36/37/38 expand Show data source
36/37/38 expand Show data source
Safety Statements
23-26-37-60 expand Show data source
26-36 expand Show data source
TSCA Listed
false expand Show data source
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
H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
95% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C6H6FN expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 533254 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle