uspto-grants-1988_08 · 10.6084/m9.figshare.5104873.v1 · US04767573
查看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
- 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
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
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
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
Regulatory Information
Status: Active Update: 02-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32063
USES
用途与制造
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
REACTIONS
参与反应
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