2-iodo-1H-imidazole 分子结构式
HCID2773468

2-iodo-1H-imidazole

C3H3IN2193.97 g/molCAS 3034-62-6

IDENTITY

结构与身份

标准SMILES
Ic1ncc[nH]1
InChIKey
MHHDMDLNVVCTAJ-UHFFFAOYSA-N
分子式
C3H3IN2
平均分子量
193.97 g/mol
单同位素质量
193.9341

COMPUTED

结构计算性质

已同步
XLogP
0.5
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
6
形式电荷
0
复杂度
48

GHS

GHS分类

GHS Classification

This chemical does not meet GHS hazard criteria for 84.4% (38 of 45) of all reports.

Warning

H315 (15.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (15.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (15.6%): 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 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 38 of 45 reports by companies.;There are 3 notifications provided by 7 of 45 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 (15.6%);Eye Irrit. 2A (15.6%);STOT SE 3 (15.6%)

ALIASES

名称与别名

共 26 条
2-iodo-1H-imidazoleRefChem:473664627-466-32-Iodoimidazole3034-62-61H-Imidazole, 2-iodo-MFCD00159701iodoimidazoleCHEMBL45354402-Iodoimidazole, 97%SCHEMBL8970SCHEMBL2352737DTXSID00378478MHHDMDLNVVCTAJ-UHFFFAOYSA-NBDBM50622814SBB054450AKOS005255524AB04195AC-1054PS-3338

REACTIONS

相关反应

13
HRID 140709 反应方程式

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

查看
HRID 391529 反应方程式

uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08383825B2

查看
HRID 499005 反应方程式

uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07767667B2

查看
HRID 499020 反应方程式

uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07767667B2

查看
HRID 508119 反应方程式

uspto-grants-2015_08 · 10.6084/m9.figshare.5104873.v1 · US09095136B2

查看
HRID 607364 反应方程式

uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07915443B2

查看
HRID 672181 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

查看
HRID 1010578 反应方程式

uspto-grants-2011_07 · 10.6084/m9.figshare.5104873.v1 · US07977334B2

查看