o-Iodonitrobenzene 分子结构式
HCID69115

o-Iodonitrobenzene

1-iodo-2-nitrobenzene

C6H4INO2249.01 g/molCAS 609-73-4

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

已同步
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

来源:PubChem
Physical Description

Yellow powder; [Alfa Aesar MSDS]

Kovats Retention Index

1457.8

GHS

GHS分类

来源:PubChem
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

来源:PubChem
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

来源:PubChem
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

来源:PubChem
General Manufacturing Information

Benzene, 1-iodo-2-nitro-: ACTIVE

ALIASES

名称与别名

共 49 条
o-IodonitrobenzeneRefChem:5624911-Iodo-2-nitrobenzene609-73-42-Iodonitrobenzene2-Nitroiodobenzeneo-NitroiodobenzeneBenzene, 1-iodo-2-nitro-iodonitrobenzene2-iodo-1-nitrobenzene1-iodo-2-nitro-benzene1-nitro-2-iodobenzeneMFCD00007088NSC-97932-nitro-1-iodobenzeneNSC9793NSC 97932-iodo-nitrobenzene2-nitro-iodobenzeneEINECS 210-200-1

REACTIONS

参与反应

89
HRID 93435 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 151775 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 165404 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 289892 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 294135 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 310226 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 333462 反应方程式

uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08877905B2

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HRID 333469 反应方程式

uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08877905B2

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