反应SMILES:Clc1ncc[nH]1
HCID2773328

2-chloro-1H-imidazole

C3H3ClN2102.52 g/molCAS 16265-04-6

IDENTITY

结构与身份

标准SMILES
Clc1ncc[nH]1
InChIKey
OCVXSFKKWXMYPF-UHFFFAOYSA-N
分子式
C3H3ClN2
平均分子量
102.52 g/mol
单同位素质量
101.9984758

COMPUTED

结构计算性质

已同步
XLogP
1
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

来源:PubChem
GHS Classification

Danger

H302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (98.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (98.6%): 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 74 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
Hazard Classes and Categories

Acute Tox. 4 (98.6%);Skin Irrit. 2 (100%);Eye Dam. 1 (98.6%);STOT SE 3 (98.6%)

ALIASES

名称与别名

共 32 条
2-Chloro-1H-imidazole16265-04-62-chloroimidazoleCHEBI:52721DTXSID60378378RefChem:86136DTXCID00329405625-756-41H-Imidazole, 2-chloro-MFCD02179530chloroimidazoleCHEMBL645602-chlor-1H-imidazolSCHEMBL57633SCHEMBL1561316SCHEMBL2041066SCHEMBL2042838SCHEMBL61783112-Chloro-1H-imidazole, 97%SCHEMBL15262600

REACTIONS

参与反应

16
HRID19499

uspto-grants-2010_06

作为反应物
HRID 19499 方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07745437B2

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HRID44890

uspto-grants-2013_09

作为反应物
HRID 44890 方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541418B2

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HRID673970

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

作为反应物
HRID 673970 方程式

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

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HRID687994

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

作为反应物
HRID 687994 方程式

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

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HRID913199

uspto-grants-2011_09

作为反应物
HRID 913199 方程式

uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08026272B2

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HRID956150

Validation data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 956150 方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID1040504

uspto-grants-2013_10

作为反应物
HRID 1040504 方程式

uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08552205B2

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HRID1092883

uspto-grants-2012_03

作为反应物
HRID 1092883 方程式

uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08129544B2

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