기본 정보
- 표준 SMILES
Nc1cccc2c1C(=O)c1ccccc1C2=O- InChIKey
KHUFHLFHOQVFGB-UHFFFAOYSA-N- 분자식
- C14H9NO2
- 평균 분자량
- 223.23 g/mol
- 단동위원소 질량
- 223.06332853
이름 및 식별자
- 우선 이름
- 1-Aminoanthraquinone
- IUPAC
- 1-aminoanthracene-9,10-dione
- 현지명
- 아미노-10-안트라센디온
- 영어명
- amino-10-anthracenedione
- 분자식
- C14H9NO2
- 분자량
- 223.23
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
25620-59-1、82-45-1- PubChem CID
- 6710
- DTXSID
DTXSID2052572- ChEMBL
CHEMBL88502- UNII
- N5YYY1NEUI
- EC Number
- 201-423-5
- Nikkaji
- J55.383B
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 60.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 352
실험 및 물리화학적 성질
물리화학적 성질
- EPA
- 9 · 9,10-Anthracenedione, amino- (25620-59-1)
안전 및 규제
GHS 분류
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.
유해성 정보
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
규제 정보
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information
9,10-Anthracenedione, 1-amino-: ACTIVE
9,10-Anthracenedione, amino-: INACTIVE
공급사50 곳
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