3-Chloro-1-(2-thienyl)-1-propanone 分子结构式
HCID7567855

3-Chloro-1-(2-thienyl)-1-propanone

3-chloro-1-thiophen-2-ylpropan-1-one

C7H7ClOS174.65 g/molCAS 40570-64-7

IDENTITY

结构与身份

标准SMILES
O=C(CCCl)c1cccs1
InChIKey
MSLOAFIOTOHDIE-UHFFFAOYSA-N
分子式
C7H7ClOS
平均分子量
174.65 g/mol
单同位素质量
173.9906137

COMPUTED

结构计算性质

已同步
XLogP
1.8
极性表面积
45.3 Ų
氢键供体
0
氢键受体
2
可旋转键
3
重原子
10
形式电荷
0
复杂度
127

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (100%): Causes serious eye damage [Danger 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, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

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

ALIASES

名称与别名

共 24 条
40570-64-73-Chloro-1-(2-thienyl)-1-propanoneDTXSID404288051-Propanone, 3-chloro-1-(2-thienyl)-RefChem:278053DTXCID70379639609-849-73-Chloro-1-(thiophen-2-yl)propan-1-one2-(3-Chloropropionyl)thiophene3-chloro-1-thiophen-2-ylpropan-1-oneMFCD064108373-chloro-1-(2-thienyl)propan-1-oneSCHEMBL960143MSLOAFIOTOHDIE-UHFFFAOYSA-NAC-2641-(2-thienyl)-3-chloropropan-1-oneAKOS006228118AB24965AS-87044CS-0106071

REACTIONS

参与反应

17
HRID 148701 反应方程式

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

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HRID 217268 反应方程式

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193380B2

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HRID 218864 反应方程式

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08198468B2

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HRID 675726 反应方程式

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

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HRID 709390 反应方程式

uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09181196B2

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HRID 709391 反应方程式

uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09181196B2

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HRID 1009839 反应方程式

uspto-grants-2011_07 · 10.6084/m9.figshare.5104873.v1 · US07973182B2

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HRID 1024482 反应方程式

uspto-grants-2014_05 · 10.6084/m9.figshare.5104873.v1 · US08722906B2

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