基本情報
- 標準SMILES
Nc1cccc2c1C(=O)c1ccccc1C2=O- InChIKey
KHUFHLFHOQVFGB-UHFFFAOYSA-N- 分子式
- C14H9NO2
- 平均分子量
- 223.23 g/mol
- 単同位体質量
- 223.06332853
名称と識別子
- 優先名称
- 1-Aminoanthraquinone
- IUPAC
- 1-aminoanthracene-9,10-dione
- 英語名
- amino-10-anthracenedione
- 分子式
- C14H9NO2
- 分子量
- 223.23
名称と別名
名称をさらに表示
データベース識別子
- CAS
25620-59-1、82-45-1- PubChem CID
- 6710
- DTXSID
DTXSID2052572- ChEMBL
CHEMBL88502- UNII
- N5YYY1NEUI
- EC Number
- 201-423-5
- Nikkaji
- J55.383B
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 60.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 352
実験および物理化学的性質
物理化学的性質
- EPAの化学物質情報
- 9 · 9,10-Anthracenedione, amino- (25620-59-1)
安全と法規制
GHS分類
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.
危険有害性情報
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
法規制情報
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing Information
9,10-Anthracenedione, 1-amino-: ACTIVE
9,10-Anthracenedione, amino-: INACTIVE
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関連反応
関連ノート
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