反应SMILES:Nc1ncc(I)cc1[N+](=O)[O-]
HCID3384468

2-Amino-5-iodo-3-nitropyridine

5-iodo-3-nitropyridin-2-amine

C5H4IN3O2265.01 g/molCAS 25391-57-5

IDENTITY

结构与身份

标准SMILES
Nc1ncc(I)cc1[N+](=O)[O-]
InChIKey
MDJUWRHSXKZSOJ-UHFFFAOYSA-N
分子式
C5H4IN3O2
平均分子量
265.01 g/mol
单同位素质量
264.93482

COMPUTED

结构计算性质

已同步
XLogP
1.5
极性表面积
84.7 Ų
氢键供体
1
氢键受体
4
可旋转键
0
重原子
11
形式电荷
0
复杂度
160

GHS

GHS分类

来源:PubChem
GHS Classification

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.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Skin Sens. 1 (100%);Eye Irrit. 2 (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 22 条
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-aminopyridineSCHEMBL16012805-iodo-3-nitro-2-pyridylamineSBB065277AKOS005257300PB233792-Amino-5-iodo-3-nitropyridine, 97%DS-12470SY041319DB-046691

REACTIONS

参与反应

10
HRID64059

uspto-grants-2016_09

作为反应物
HRID 64059 方程式

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09447091B2

查看
HRID824410

Test data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 824410 方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看
HRID1434636

uspto-grants-2009_11

作为反应物
HRID 1434636 方程式

uspto-grants-2009_11 · 10.6084/m9.figshare.5104873.v1 · US07615567B2

查看
HRID1434637

uspto-grants-2009_11

作为反应物
HRID 1434637 方程式

uspto-grants-2009_11 · 10.6084/m9.figshare.5104873.v1 · US07615567B2

查看
HRID1434641

uspto-grants-2009_11

作为反应物
HRID 1434641 方程式

uspto-grants-2009_11 · 10.6084/m9.figshare.5104873.v1 · US07615567B2

查看
HRID1547519

Training data from https://doi.org/10.1039/C8SC04228D (1/10)

作为反应物
HRID 1547519 方程式

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

查看
HRID1862478

uspto-grants-2003_03

作为反应物
HRID 1862478 方程式

uspto-grants-2003_03 · 10.6084/m9.figshare.5104873.v1 · US06538010B1

查看
HRID1862479

uspto-grants-2003_03

作为反应物
HRID 1862479 方程式

uspto-grants-2003_03 · 10.6084/m9.figshare.5104873.v1 · US06538010B1

查看