4-Iodo-o-toluidine 分子结构式
HCID83221

4-Iodo-o-toluidine

4-iodo-2-methylaniline

C7H8IN233.05 g/molCAS 13194-68-8

IDENTITY

结构与身份

标准SMILES
Cc1cc(I)ccc1N
InChIKey
BGKLFAQCHHCZRZ-UHFFFAOYSA-N
分子式
C7H8IN
平均分子量
233.05 g/mol
单同位素质量
232.97015

COMPUTED

结构计算性质

已同步
XLogP
2
极性表面积
26 Ų
氢键供体
1
氢键受体
1
可旋转键
0
重原子
9
形式电荷
0
复杂度
94

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (98.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (98.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (96.6%): 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 58 reports by companies from 6 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. 4 (100%);Skin Irrit. 2 (98.3%);Eye Irrit. 2 (98.3%);Acute Tox. 4 (100%);STOT SE 3 (96.6%)

ALIASES

名称与别名

共 48 条
4-Iodo-2-methylaniline13194-68-84-iodo-2-methylbenzenamine4-Iodo-o-toluidineEINECS 236-154-2DTXSID50157270NSC 60731RefChem:524233DTXCID5079761236-154-2InChI=1/C7H8IN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H2-Amino-5-iodotolueneBenzenamine, 4-iodo-2-methyl-2-methyl-4-iodoanilineMFCD000252994-iodo-2-methylphenylamineNSC-60731EN300-17571(4-iodo-2-methylphenyl)amine4-iodo-2-methyl-aniline

REACTIONS

参与反应

39
HRID 39501 反应方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524911B2

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HRID 39507 反应方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524911B2

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HRID 39599 反应方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524911B2

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HRID 78762 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841459B2

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HRID 78768 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841459B2

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HRID 78860 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841459B2

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HRID 159800 反应方程式

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

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HRID 218869 反应方程式

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08198457B2

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