2-クロロ-4-ニトロピリジン1-オキシド

2-Chloro-4-nitropyridine 1-oxide

HCID 84433CAS 14432-16-7
部分構造検索類似構造を探す

基本情報

標準SMILES
O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1
InChIKey
YSTCMHHKDOVZDA-UHFFFAOYSA-N
分子式
C5H3ClN2O3
平均分子量
174.54 g/mol
単同位体質量
173.9832197

名称と識別子

優先名称
2-Chloro-4-nitropyridine 1-oxide
IUPAC
2-chloro-4-nitro-1-oxidopyridin-1-ium
現地名
2-クロロ-4-ニトロピリジン1-オキシド
英語名
2-Chloro-4-nitropyridine 1-oxide
分子式
C5H3ClN2O3
分子量
174.54

名称と別名

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
名称をさらに表示
2-クロロ-4-ニトロピリジン1-オキシド2-クロロ-4-ニトロピリジン N-オキシド2-クロロ-4-ニトロピリジン-N-オキシド2-クロロ-4-ニトロピリジンN-オキシド2-クロロ-4-ニトロピリジン-1-イウム-1-オラート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

データベース識別子

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

物性

構造計算による物性

XLogP
0.6
極性表面積
71.3 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
0
重原子数
11

物理化学的性質

融点
151 · 151-155 °C (lit.)
沸点
405.9 · 405.9±25.0 °C(Predicted)
比重(密度)
1.62 · 1.62±0.1 g/cm3(Predicted)
闪点
223 °F · 223 °F
貯蔵温度
2 · 2-8°C, sealed storage, away from moisture
酸解離定数(Pka)
-2.53 · -2.53±0.10(Predicted)

化学的性質

化学的特性light yellow solid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)

安全データ

wgk
3
ridadr
UN 2811 6.1/PG 3
hs_code
29333990
risk_code
23/24/25-36/37/38
消防法
危-5-II
hazard_code
T

化学と産業

応用分野

使用2-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].

上流・下流製品情報

サプライヤー50 社

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]

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