Pentafluoropyridine

HCID 69690CAS 700-16-3
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1nc(F)c(F)c(F)c1F
InChIKey
XTGOWLIKIQLYRG-UHFFFAOYSA-N
Molecular formula
C5F5N
Average molar mass
169.05 g/mol
Monoisotopic mass
168.9950901

Overview

structure in first source

Names & identifiers

Preferred name
Pentafluoropyridine
IUPAC
2,3,4,5,6-pentafluoropyridine
English name
Pentafluoropyridine
Molecular formula
C5F5N
Molecular weight
169.05

Names & synonyms

Pentafluoropyridine700-16-3Perfluoropyridine2,3,4,5,6-PentafluoropyridineDTXSID70220258RefChem:171373DTXCID70142749211-839-9Pyridine, pentafluoro-MFCD00006225C5F5N2,3,4,5,6-Perfluoropyridine
Show more names
Pentafluoropyridine>Pentafluoropyridine 99%5-Chloro-2-caynopyridinePENTAFLUOROPYRIDINE, 99+%Pentafluoropyridine, 99+% 5GRPyridine, 2,3,4,5,6-pentafluoro-
EINECS 211-839-9Pentafluoropyridine, >=99%SCHEMBL1886942,3,4,5,6-pentafluoro-pyridineSBB088228AKOS005063396CS-W0177314-methoxybenzoic acid 2-ethylbutyl ester

Database identifiers

CAS
700-16-3
PubChem CID
69690
DTXSID
DTXSID70220258
EC Number
211-839-9
Nikkaji
J89B

Properties

Computed structural properties

XLogP
2
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physicochemical properties

Melting point
-42 · -42
Boiling point
83 · 83-85 °C
Density
1.54 g/mL · 1.54 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.386(lit.)
Flash point
75 °F · 75 °F
storage temp.
2 · Inert atmosphere,2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (98.1%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (98.1%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 1993 3/PG 3
hs_code
29333990
risk_code
10-20/21/22-36/37/38
Signal word
Warning

Chemistry & industry

Applications · 2 items

UsesPentafluoropyridine was used in the preparation of η2-C,C coordinated pentafluoropyridine complex. It was also used in the preparation of polyfluorinated coupling products via Pd(0)-catalyzed cross-coupling reaction with diarylzinc compounds. It was also used as derivatizing reagent in the sensitive GC-MS method for determination of the four endocrine disrupting chemicals.

General DescriptionThe reactions of pentafluoropyridine with cobalt(0) complex, Co(PMe3)4 was investigated.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

93 records
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Linked notes

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