反应SMILES:OC1CCCCC1Cl
HCID15274

2-Chlorocyclohexanol

2-chlorocyclohexan-1-ol

C6H11ClO134.6 g/molCAS 1561-86-0

IDENTITY

结构与身份

标准SMILES
OC1CCCCC1Cl
InChIKey
NYEWDMNOXFGGDX-UHFFFAOYSA-N
分子式
C6H11ClO
平均分子量
134.6 g/mol
单同位素质量
134.0498427

COMPUTED

结构计算性质

已同步
XLogP
1.5
极性表面积
20.2 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
74

PROPERTIES

实验与物化性质

来源:PubChem
Kovats Retention Index

1032.1;1017

1629;1658;1658;1659

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): 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 39 reports by companies from 2 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

Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 29 条
2-CHLOROCYCLOHEXANOL1561-86-0Cyclohexanol, 2-chloro-EINECS 216-339-4AI3-61848RefChem:86467216-339-4NYEWDMNOXFGGDX-UHFFFAOYSA-N2-chlorocyclohexan-1-olCyclohexene ChlorohydrinMFCD000038602-Chlor-cyclohexanol2-chloro-cyclohexanol2-chloro-cyclohexan-1-olSCHEMBL1766610SCHEMBL1766614SCHEMBL10679713SCHEMBL28287810DTXSID10871167AKOS005206820

REACTIONS

参与反应

5
HRID70802

uspto-grants-2014_09

作为反应物
HRID 70802 方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822693B2

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HRID118027

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 118027 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID1500002

uspto-grants-2015_12

作为反应物
HRID 1500002 方程式

uspto-grants-2015_12 · 10.6084/m9.figshare.5104873.v1 · US09204649B2

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HRID1592272

uspto-grants-2007_11

作为反应物
HRID 1592272 方程式

uspto-grants-2007_11 · 10.6084/m9.figshare.5104873.v1 · US07291730B2

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HRID1759994

uspto-grants-2005_01

作为反应物
HRID 1759994 方程式

uspto-grants-2005_01 · 10.6084/m9.figshare.5104873.v1 · US06838463B2

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