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31301-51-6 molecular structure
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2-chloro-5-fluoropyridine

ChemBase ID: 15932
Molecular Formular: C5H3ClFN
Molecular Mass: 131.5354232
Monoisotopic Mass: 130.993805
SMILES and InChIs

SMILES:
c1(cnc(cc1)Cl)F
Canonical SMILES:
Clc1ccc(cn1)F
InChI:
InChI=1S/C5H3ClFN/c6-5-2-1-4(7)3-8-5/h1-3H
InChIKey:
QOGXQLSFJCIDNY-UHFFFAOYSA-N

Cite this record

CBID:15932 http://www.chembase.cn/molecule-15932.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-5-fluoropyridine
IUPAC Traditional name
2-chloro-5-fluoropyridine
Synonyms
2-Chloro-5-fluoropyridine
2-Chloro-5-fluoropyridine 98%
2-Chloro-5-fluoropyridine
2-氯-5-氟吡啶
CAS Number
31301-51-6
MDL Number
MFCD03095332
PubChem SID
160979239
24883277
PubChem CID
2782801

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7224971  LogD (pH = 7.4) 1.7224972 
Log P 1.7224972  Molar Refractivity 29.9836 cm3
Polarizability 11.128494 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)
Melting Point
19°C expand Show data source
19°C expand Show data source
Boiling Point
74°C/38mm expand Show data source
74°C/38mm expand Show data source
Flash Point
107.6 °F expand Show data source
42 °C expand Show data source
42°C expand Show data source
42°C(108°F) expand Show data source
Density
1.297 expand Show data source
1.297 g/mL at 25 °C expand Show data source
Refractive Index
1.503 expand Show data source
n20/D 1.503 expand Show data source
Hydrophobicity(logP)
1.593 expand Show data source
Storage Warning
Flammable/Harmful/Irritant/Store under Argon expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1993 expand Show data source
UN2929 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
6.1 expand Show data source
Packing Group
3 expand Show data source
II expand Show data source
Risk Statements
10-22-37/38-41 expand Show data source
10-23/24/25-37/38-41 expand Show data source
Safety Statements
26-36/37/39-41 expand Show data source
26-36/39 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H302-H315-H318-H335 expand Show data source
H301-H310-H330-H315-H335-H318-H226 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
P280-P305+P351+P338-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
RID/ADR
UN 1993 3/PG 3 expand Show data source
Purity
95% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C5H3ClFN expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 643556 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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