Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- O=[N+]([O-])c1ccccc1I
- InChIKey
- JXMZUNPWVXQADG-UHFFFAOYSA-N
- 分子式
- C6H4INO2
- 平均分子量
- 249.01 g/mol
- 单同位素质量
- 248.92868
COMPUTED
结构计算性质
- XLogP
- 2.6
- 极性表面积
- 45.8 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 0
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 134
PROPERTIES
实验与物化性质
Physical Description
Yellow powder; [Alfa Aesar MSDS]
Kovats Retention Index
1457.8
GHS
GHS分类
GHS Classification
Warning
H302 (95.8%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (95.8%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (95.8%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (95.8%): 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 48 reports by companies from 7 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
Hazards Summary
A skin and strong eye irritant; May induce methemoglobinemia; Toxic by ingestion and skin absorption; Harmful by inhalation; [Alfa Aesar MSDS] See 2-Bromonitrobenzene.
Hazard Classes and Categories
Acute Tox. 4 (95.8%);Acute Tox. 4 (95.8%);Skin Irrit. 2 (97.9%);Eye Irrit. 2 (97.9%);Acute Tox. 4 (95.8%);STOT SE 3 (95.8%)
TOXICITY
毒理信息
Adverse Effects
Methemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
USES
用途与制造
General Manufacturing Information
Benzene, 1-iodo-2-nitro-: ACTIVE
ALIASES
名称与别名
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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