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766-11-0 molecular structure
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5-bromo-2-fluoropyridine

ChemBase ID: 13716
Molecular Formular: C5H3BrFN
Molecular Mass: 175.9864232
Monoisotopic Mass: 174.94328932
SMILES and InChIs

SMILES:
c1(cnc(cc1)F)Br
Canonical SMILES:
Fc1ccc(cn1)Br
InChI:
InChI=1S/C5H3BrFN/c6-4-1-2-5(7)8-3-4/h1-3H
InChIKey:
MYUQKYGWKHTRPG-UHFFFAOYSA-N

Cite this record

CBID:13716 http://www.chembase.cn/molecule-13716.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-2-fluoropyridine
IUPAC Traditional name
5-bromo-2-fluoropyridine
Synonyms
5-Bromo-2-fluoropyridine
5-Bromo-2-fluoropyridine
2-Fluoro-5-bromopyridine
5-溴-2-氟吡啶
CAS Number
766-11-0
EC Number
000-000-0
MDL Number
MFCD01863742
Beilstein Number
1363171
PubChem SID
24874133
160977023
PubChem CID
2783168

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0609586  LogD (pH = 7.4) 2.0609586 
Log P 2.0609586  Molar Refractivity 32.755 cm3
Polarizability 12.183699 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
162-164 °C/750 mmHg(lit.) expand Show data source
162-164°C/750mm expand Show data source
162-164°C expand Show data source
Flash Point
163.4 °F expand Show data source
73 °C expand Show data source
73°C expand Show data source
73°C(163°F) expand Show data source
Density
1.71 expand Show data source
1.71 g/mL at 25 °C(lit.) expand Show data source
1.710 expand Show data source
1.72 expand Show data source
Refractive Index
1.5294 expand Show data source
1.5325 expand Show data source
1.5330 expand Show data source
n20/D 1.5325(lit.) expand Show data source
Hydrophobicity(logP)
1.764 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
UN2810 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
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
26-36/37 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
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H311-H302-H332-H315-H319-H335-H227 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280H-P305+P351+P338-P309-P310 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
97% expand Show data source
98% expand Show data source
99% expand Show data source
Empirical Formula (Hill Notation)
C5H3BrFN expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 520438 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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