4-Methoxypyridine N-oxide

HCID 70743

Basic information

CAS
1122-96-9
Standard SMILES
COc1cc[n+]([O-])cc1
InChIKey
BOFAIBPJCWFJFT-UHFFFAOYSA-N
Molecular formula
C6H7NO2
Average molar mass
125.13 g/mol
Monoisotopic mass
125.04767847

Names & identifiers

Preferred name
4-Methoxypyridine N-oxide
IUPAC
4-methoxy-1-oxidopyridin-1-ium
English name
4-Methoxypyridine N-oxide
Molecular formula
C6H7NO2
Molecular weight
125.13

Names & synonyms

4-Methoxypyridine N-oxide1122-96-9DTXSID30149956EINECS 214-367-1RefChem:99674DTXCID4072447NSC 27964214-367-14-Methoxypyridine 1-oxide4-Methoxypyridine-N-oxide4-methoxy-1-oxidopyridin-1-iumPyridine, 4-methoxy-, 1-oxide
Show more names
AKOS 93569NSC 27964 Hydratep-methoxypyridine n-oxide4-Methoxylpyridine-N-OxidePyridine,4-methoxy-,1-oxide4-MethoxypyridineN-Oxide>4-Methoxypyridine N-oxide,984-METHOXYPYRIDINE-N-OXIDE 95%
4-MethoxypyridineN-oxideMFCD000062074-METHOXYPYRIDIN-1-IUM-1-OLATE4-methoxypiridine-N-oxide4-methoxypyridine--N-oxideNSC-27964AB00619AC-4673

Database identifiers

CAS
1122-96-9
PubChem CID
70743
DTXSID
DTXSID30149956
UNII
UMB9SBP2LF
EC Number
214-367-1
Nikkaji
J182.502J

Properties

Computed structural properties

XLogP
-0.7
Topological polar surface area
34.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
9

Physicochemical properties

Melting point
73 · 73-79 °C
Boiling point
308.9 · 308.9±15.0 °C(Predicted)
Density
1.09 · 1.09±0.1 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
pka
2.3 · 2.30±0.10(Predicted)
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302+H312+H332 (14.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (14.3%);Acute Tox. 4 (14.3%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);Acute Tox. 4 (14.3%);STOT SE 3 (85.7%)

Safety data

F
3-10
wgk
3
hs_code
29333990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses4-Methoxypyridine N-oxide is a heteroaromatic N-oxide used as a nucleophilic catalyst in oligonucleotide synthesis and free radical polymerization.

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉卓元易创科技有限公司13476791851 13476791851 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

11 records

Compound notes

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