4-chloropyridine N-oxide

HCID 70724
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
1121-76-2
Standard SMILES
[O-][n+]1ccc(Cl)cc1
InChIKey
DPJVRASYWYOFSJ-UHFFFAOYSA-N
Molecular formula
C5H4ClNO
Average molar mass
129.54 g/mol
Monoisotopic mass
128.99814143

Names & identifiers

Preferred name
4-chloropyridine N-oxide
IUPAC
4-chloro-1-oxidopyridin-1-ium
English name
4-Chloropyridine N-oxide
Molecular formula
C5H4ClNO
Molecular weight
129.54

Names & synonyms

4-Chloropyridine N-oxide4-Chloropyridine 1-oxidePyridine, 4-chloro-, 1-oxideDTXSID0041513NSC-5074F3196UEB9QDTXCID8021513CHLOROPYRIDINE N-OXIDE, 4-Caswell No. 215AUNII-F3196UEB9QEINECS 214-336-2EPA Pesticide Chemical Code 069204
Show more names
TH 285NAURORA KA-3011Chloropyridineoxide4-Chloropuridine N-oxide4-Chloro-pyridine1-oxidePyridine,4-chloro-,1-oxide4-Chloropyridine-N-oxide,98%
RefChem:98617NSC 5074214-336-21121-76-24-chloro-1-oxidopyridin-1-ium4-Chloropyridine oxide4-chloropyridin-1-ium-1-olate4-Chloropyridine-N-oxide

Database identifiers

CAS
1121-76-2
PubChem CID
70724
DTXSID
DTXSID0041513
ChEMBL
CHEMBL3186776
UNII
F3196UEB9Q
EC Number
214-336-2
Nikkaji
J7.265F

Properties

Computed structural properties

XLogP
0
Topological polar surface area
25.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
8

Experimental & physicochemical properties

Collision Cross Section121.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0041513]

Physicochemical properties

Melting point
160 °C · 160 °C (dec.) (lit.)
Boiling point
310 · 310.0±15.0 °C(Predicted)
Density
1.27 · 1.27±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
form
powder to crystal
pka
0 · 0+-.0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29333999
risk_code
36/37/38-20/21/22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses4-Chloropyridine N-Oxide can be used for electronic transmission material which can be used to prepare an electronic transport layer that is comprised in an electronic device which makes up a stable display device.

General Description4-Chloropyridine N-oxide forms complexes with uranyl chloride and has been investigated by IR spectra, electronic spectra, molar conductivity and magnetic susceptibility measurements.

Upstream & downstream products

Suppliers100 total

河北凡博医药科技有限公司15588346797
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]
武汉贺景行生物科技有限公司027-13277920701 13277920701 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]

Related reactions

49 records
New reaction record

Compound notes

Loading…