HCID15479807

1-(3-(Bromomethyl)phenyl)ethan-1-one

1-[3-(bromomethyl)phenyl]ethanone

C9H9BrO213.07 g/molCAS 75369-41-4

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IDENTITY

结构与身份

标准SMILES: CC(=O)c1cccc(CBr)c1
InChIKey: TZVOWUZAOVUUBP-UHFFFAOYSA-N
分子式: C9H9BrO
平均分子量: 213.07 g/mol
单同位素质量: 211.98368

COMPUTED

结构计算性质

已同步

XLogP: 2.2
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 2
重原子: 11
形式电荷: 0
复杂度: 144

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 21 条

75369-41-41-[3-(Bromomethyl)phenyl]ethan-1-one1-(3-(Bromomethyl)phenyl)ethan-1-oneRefChem:423112817-752-81-(3-Bromomethyl-phenyl)-ethanone1-[3-(bromomethyl)phenyl]ethanoneEthanone, 1-[3-(bromomethyl)phenyl]-1-(3-(bromomethyl)phenyl)ethanoneMFCD222098723-acetylbenzyl bromide3'-BromomethylacetophenoneSCHEMBL599749TZVOWUZAOVUUBP-UHFFFAOYSA-NADA36941-1(3-Bromomethyl-Phenyl)-EthanoneBS-41889DS-019858CS-0038988EN300-100792

REACTIONS

参与反应

22 条

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

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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

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

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

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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

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uspto-grants-2003_07 · 10.6084/m9.figshare.5104873.v1 · US06586633B1

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