1-Aminoanthraquinone 分子结构式
HCID6710

1-Aminoanthraquinone

1-aminoanthracene-9,10-dione

C14H9NO2223.23 g/molCAS 25620-59-1

IDENTITY

结构与身份

标准SMILES
Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIKey
KHUFHLFHOQVFGB-UHFFFAOYSA-N
分子式
C14H9NO2
平均分子量
223.23 g/mol
单同位素质量
223.06332853

COMPUTED

结构计算性质

已同步
XLogP
3.2
极性表面积
60.2 Ų
氢键供体
1
氢键受体
3
可旋转键
0
重原子
17
形式电荷
0
复杂度
352

PROPERTIES

实验与物化性质

来源:PubChem
Physical Description

Ruby-red solid; [Merck Index] Dark red to brown crystalline powder; [Acros Organics MSDS]

Kovats Retention Index

380;383.68;384.41;386

GHS

GHS分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 9.1% (1 of 11) of reports.

Warning

H312 (18.2%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (63.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (72.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (18.2%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (63.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (18.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (18.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 11 reports by companies.;There are 6 notifications provided by 10 of 11 reports by companies with hazard statement code(s).;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
Regulatory Information

Status: Active Update: 02-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32063

Hazards Summary

An oral repeated-dose/reproductive/developmental toxicity study of rats demonstrated histopathological changes of the kidney and spleen, disappearance of nursing behavior, decreased pup viability on postnatal day 4, and NOAEL's for repeated-dose and reproductive toxicity of less than 40 mg/kg/day (lowest tested dose); No adverse effects on reproductive parameters or teratogenicity observed; [OECD SIDS: 1-Aminoanthraquinone - 1996] Not a skin or eye irritant in rabbits; [IUCLID] A mild eye irritant; Causes excitement, weight loss, and changes of the liver and kidney in inhalation studies of rats; Causes normocytic anemia, weight loss, and organ changes (liver, spleen, and heart) in 2-week oral studies of guinea pigs; [RTECS] A mild eye irritant; [Acros Organics MSDS] See 1-Amino-5-chloroanthraquinone.

Hazard Classes and Categories

Acute Tox. 4 (18.2%);Skin Irrit. 2 (63.6%);Eye Irrit. 2A (72.7%);Acute Tox. 4 (18.2%);STOT SE 3 (63.6%);Aquatic Acute 1 (18.2%);Aquatic Chronic 1 (18.2%)

Serious eye damage/eye irritation - Category 2B;Specific target organ toxicity - Repeated exposure - Category 2 (kidney, spleen, blood system);Hazardous to the aquatic environment (Acute) - Category 1;Hazardous to the aquatic environment (Long-term) - Category 1

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Status: Active Update: 02-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32063

USES

用途与制造

来源:PubChem
Uses

Used to make dyes and pharmaceuticals; [Merck Index]

General Manufacturing Information

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

9,10-Anthracenedione, amino-: INACTIVE

ALIASES

名称与别名

共 85 条
1-AMINOANTHRAQUINONE82-45-1Diazo Fast Red ALAnthraquinone, 1-amino-1-Amino-9,10-anthraquinone9,10-Anthracenedione, 1-amino-1-Amino-9,10-anthracenedioneN5YYY1NEUIDTXSID2052572NSC-458NSC-30415RefChem:907485DTXCID9031145201-423-51-aminoanthracene-9,10-dione1-Amino anthraquinone1-Aminoanthrachinon1-Amino-anthraquinonealpha-Aminoanthraquinone.alpha.-Aminoanthraquinone

REACTIONS

参与反应

132
HRID 35506 反应方程式

uspto-grants-1988_08 · 10.6084/m9.figshare.5104873.v1 · US04767573

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HRID 64622 反应方程式

uspto-grants-1986_09 · 10.6084/m9.figshare.5104873.v1 · US04609404

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HRID 64623 反应方程式

uspto-grants-1986_09 · 10.6084/m9.figshare.5104873.v1 · US04609404

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HRID 98233 反应方程式

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

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HRID 105418 反应方程式

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

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HRID 115066 反应方程式

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

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HRID 118828 反应方程式

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

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HRID 167286 反应方程式

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

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