HCID6704

1-Nitroanthraquinone

1-nitroanthracene-9,10-dione

C14H7NO4253.21 g/molCAS 82-34-8

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IDENTITY

结构与身份

标准SMILES: O=C1c2ccccc2C(=O)c2c1cccc2[N+](=O)[O-]
InChIKey: YCANAXVBJKNANM-UHFFFAOYSA-N
分子式: C14H7NO4
平均分子量: 253.21 g/mol
单同位素质量: 253.0375077

COMPUTED

结构计算性质

已同步

XLogP: 3.2
极性表面积: 80 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 0
重原子: 19
形式电荷: 0
复杂度: 428

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

394.38

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, 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%)

USES

用途与制造

来源：PubChem

General Manufacturing Information

9,10-Anthracenedione, 1-nitro-: ACTIVE

ALIASES

名称与别名

共 44 条

1-NITROANTHRAQUINONE9,10-Anthracenedione, 1-nitro-EINECS 201-413-0NSC 121251-Nitro-9,10-anthracenedioneDTXSID3052569RefChem:76583DTXCID4031142201-413-0YCANAXVBJKNANM-UHFFFAOYSA-N82-34-81-nitroanthracene-9,10-dione1-Nitroanthrachinon1-Nitro-anthraquinoneAnthraquinone, 1-nitro-MFCD000191401-nitro-9,10-dihydroanthracene-9,10-dione.alpha.-NitroanthraquinoneGE4B3RL7PKNSC-12125

REACTIONS

参与反应

114 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 (2/10) · 10.1039/C8SC04228D

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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 (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 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 (6/10) · 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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