2-Chloro-4-nitropyridine 1-oxide

HCID 84433
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Basic information

CAS
14432-16-7
Standard SMILES
O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1
InChIKey
YSTCMHHKDOVZDA-UHFFFAOYSA-N
Molecular formula
C5H3ClN2O3
Average molar mass
174.54 g/mol
Monoisotopic mass
173.9832197

Names & identifiers

Preferred name
2-Chloro-4-nitropyridine 1-oxide
IUPAC
2-chloro-4-nitro-1-oxidopyridin-1-ium
English name
2-Chloro-4-nitropyridine 1-oxide
Molecular formula
C5H3ClN2O3
Molecular weight
174.54

Names & synonyms

2-Chloro-4-nitropyridine 1-oxideDTXSID80162675EINECS 238-404-6RefChem:469088DTXCID5085166NSC 527701238-404-614432-16-72-Chloro-4-nitropyridine-N-oxide2-Chloro-4-nitropyridine N-oxide2-chloro-4-nitro-1-oxidopyridin-1-iumPyridine, 2-chloro-4-nitro-, 1-oxide
Show more names
AURORA 23245AKOS BBS-00001358OTAVA-BB BB70175200532-Chloro-4-nitropyridi2-Chlor-4-nitropyridin-1-oxid4-Chloro-3-nitropyridine-N-oxide2-Chloro-4-nitropyridineN-Oxide>2-Chloro-4-nitropyridine N-oxide 95%
MFCD009556172-CHLORO-4-NITROPYRIDIN-1-IUM-1-OLATENSC-5277012-chloro-4-nitropyridin-1-ol2-Chloro-4-nitropyridine1-oxideJE5ASN4WNESCHEMBL345760SCHEMBL31536932

Database identifiers

CAS
14432-16-7
PubChem CID
84433
DTXSID
DTXSID80162675
UNII
JE5ASN4WNE
EC Number
238-404-6
Nikkaji
J217.012D

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
71.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Melting point
151 · 151-155 °C (lit.)
Boiling point
405.9 · 405.9±25.0 °C(Predicted)
Density
1.62 · 1.62±0.1 g/cm3(Predicted)
Flash point
223 °F · 223 °F
storage temp.
2 · 2-8°C, sealed storage, away from moisture
pka
-2.53 · -2.53±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (91.1%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (91.1%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (91.1%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 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. 3 (91.1%)；Acute Tox. 3 (91.1%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 3 (91.1%)；STOT SE 3 (97.8%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk
3
ridadr
UN 2811 6.1/PG 3
hs_code
29333990
risk_code
23/24/25-36/37/38
Signal word
Danger

Chemistry & industry

Applications

Uses2-Chloro-4-nitropyridine 1-oxide serves as a reagent for nucleophilic substitution with amines in ethanol under microwave irradiation at 100 °C to form pyridine N-oxides[1].

Upstream & downstream products

Suppliers100 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

Related reactions

32 records
New reaction record

Compound notes

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