2-アミノ-5-ヨード-3-ニトロピリジン

2-Amino-5-iodo-3-nitropyridine

HCID 3384468

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 25391-57-5
標準SMILES: Nc1ncc(I)cc1[N+](=O)[O-]
InChIKey: MDJUWRHSXKZSOJ-UHFFFAOYSA-N
分子式: C5H4IN3O2
平均分子量: 265.01 g/mol
単同位体質量: 264.93482

名称と識別子

優先名称: 2-Amino-5-iodo-3-nitropyridine
IUPAC: 5-iodo-3-nitropyridin-2-amine
現地名: 2-アミノ-5-ヨード-3-ニトロピリジン
英語名: 2-AMINO-5-IODO-3-NITROPYRIDINE
分子式: C5H4IN3O2
分子量: 265.01

名称と別名

25391-57-52-Amino-5-iodo-3-nitropyridineDTXSID10391991RefChem:464616DTXCID60342852626-879-65-iodo-3-nitropyridin-2-amineMFCD040384645-iodo-3-nitro-pyridin-2-amine2-Pyridinamine, 5-iodo-3-nitro-5-Iodo-3-nitro-2-aminopyridineSCHEMBL1601280

名称をさらに表示

2-アミノ-5-ヨード-3-ニトロピリジンZinc042029185-iodo-3-nitro-2-pyridinamine2-PYRIDINAMINE,5-IODO-3-NITRO2-Amino-3-nitro-5-iodopyridine5-IODO-3-NITRO-PYRIDIN-2-YLAMINE2-Amino-5-iodo-3-nitropyridine 95+%2-AMINO-5-IODO-3-NITROPYRIDINE ISO 9001：2015 REACH

5-iodo-3-nitro-2-pyridylamineSBB065277AKOS005257300PB233792-Amino-5-iodo-3-nitropyridine, 97%DS-12470SY041319DB-046691

データベース識別子

CAS: 25391-57-5
PubChem CID: 3384468
DTXSID: DTXSID10391991
EC Number: 626-879-6

物性

構造計算による物性

XLogP: 1.5
極性表面積: 84.7 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 160

物理化学的性質

融点: 215 · 215-219 °C (lit.)
沸点: 365.4 · 365.4±42.0 °C(Predicted)
比重(密度): 2.229 · 2.229±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: solid
酸解離定数(Pka): 0.41 · 0.41±0.49(Predicted)
InChI: 1S/C5H4IN3O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H,(H2,7,8)
InChIKey: MDJUWRHSXKZSOJ-UHFFFAOYSA-N
SMILES: Nc1ncc(I)cc1[N+]([O-])=O
CAS データベース: 25391 · 25391-57-5(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
hs_code: 2933399990
risk_code: 22-36/37/38-43
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36/37
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 11 - Combustible Solids