4-Chloro-2-iodo-1-nitrobenzene 分子结构式
HCID11426100

4-Chloro-2-iodo-1-nitrobenzene

C6H3ClINO2283.45 g/molCAS 160938-18-1

IDENTITY

结构与身份

标准SMILES
O=[N+]([O-])c1ccc(Cl)cc1I
InChIKey
OTLJSDATRAVVAV-UHFFFAOYSA-N
分子式
C6H3ClINO2
平均分子量
283.45 g/mol
单同位素质量
282.8897

COMPUTED

结构计算性质

已同步
XLogP
3
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
11
形式电荷
0
复杂度
161

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (33.3%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H341 (33.3%): Suspected of causing genetic defects [Warning Germ cell mutagenicity];H350 (33.3%): May cause cancer [Danger Carcinogenicity];H411 (33.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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%);Acute Tox. 3 (33.3%);Skin Irrit. 2 (66.7%);Skin Sens. 1B (33.3%);Eye Irrit. 2A (66.7%);STOT SE 3 (66.7%);Muta. 2 (33.3%);Carc. 1B (33.3%);Aquatic Chronic 2 (33.3%)

ALIASES

名称与别名

共 22 条
4-chloro-2-iodo-1-nitrobenzene160938-18-1DTXSID90465548RefChem:291513DTXCID80416367830-707-74-Chloro-2-iodonitrobenzeneBenzene, 4-chloro-2-iodo-1-nitro-MFCD110077324-chloro-2-iodo-1-nitro-benzene1-nitro-2-iodo-4-chlorobenzeneSCHEMBL2766183OTLJSDATRAVVAV-UHFFFAOYSA-NKGA93818AKOS009385489DS-15043SY101616DB-357985CS-0041170EN300-39786

REACTIONS

参与反应

5
HRID 50142 反应方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06710205B2

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HRID 167848 反应方程式

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

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HRID 460430 反应方程式

uspto-grants-2007_03 · 10.6084/m9.figshare.5104873.v1 · US07196198B2

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HRID 1713706 反应方程式

uspto-grants-2010_09 · 10.6084/m9.figshare.5104873.v1 · US07795297B2

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HRID 2089716 反应方程式

uspto-grants-2013_05 · 10.6084/m9.figshare.5104873.v1 · US08436040B2

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