3,5-Dimethyl-4-iodo-1H-pyrazole 分子结构式
HCID97115

3,5-Dimethyl-4-iodo-1H-pyrazole

4-iodo-3,5-dimethyl-1H-pyrazole

C5H7IN2222.03 g/molCAS 2033-45-6

IDENTITY

结构与身份

标准SMILES
Cc1n[nH]c(C)c1I
InChIKey
MZZXIXHKDJNBJQ-UHFFFAOYSA-N
分子式
C5H7IN2
平均分子量
222.03 g/mol
单同位素质量
221.9654

COMPUTED

结构计算性质

已同步
XLogP
1.7
极性表面积
28.7 Ų
氢键供体
1
氢键受体
1
可旋转键
0
重原子
8
形式电荷
0
复杂度
86

GHS

GHS分类

GHS Classification

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

Danger

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (95.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (95.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 41 reports by companies.;There are 3 notifications provided by 40 of 41 reports by companies with hazard statement code(s).;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

Hazard Classes and Categories

Skin Irrit. 2 (97.6%);Eye Dam. 1 (95.1%);STOT SE 3 (95.1%)

ALIASES

名称与别名

共 42 条
3,5-Dimethyl-4-iodo-1H-pyrazoleRefChem:486990622-388-63,5-Dimethyl-4-iodopyrazole2033-45-64-iodo-3,5-dimethyl-1H-pyrazole4-Iodo-3,5-dimethylpyrazole1H-Pyrazole, 4-iodo-3,5-dimethyl-Pyrazole, 3,5-dimethyl-4-iodo-MFCD00040247L2H8B6U6QJNSC-100887NSC100887UNII-L2H8B6U6QJNCIOpen2_0067734-iodo-3,5-dimethyl pyrazole4-Iodo-3,5-dimethyl-pyrazoleSCHEMBL1205854CHEMBL5192672SCHEMBL27862930

REACTIONS

相关反应

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HRID 270880 反应方程式

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HRID 284454 反应方程式

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HRID 858565 反应方程式

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HRID 1061854 反应方程式

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HRID 1202436 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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HRID 1372097 反应方程式

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