1,8,9-Trihydroxyanthracene 1,8,9-三羟基蒽

CAS 480-22-8 MFCD00001250

化学结构图

480-22-8
SMILES: OC1C=CC=C2C=C3C=CC=C(O)C3=C(O)C=12

化学属性

Mol. FormulaC14H10O3
Mol. Weight226.23
Melting Point181 °C
TSCANo
Boiling Point327.84 °C at 760 mmHg

别名和识别编码

Chemical Name1,8,9-Trihydroxyanthracene
Synonym 1,​8,​9-​Trihydroxyanthracene {LY} 1,​8,​9-​Trihydroxyanthracene {} {LY} 1,​8,​9-​Trihydroxyanthracene {} {} {LY} 1,​8,​9-​Trihydroxyanthracene {} {} {} {LY} 1,​8,​9-​Trihydroxyanthracene {} {} {} {} {LY} 1,​8,​9-​Trihydroxyanthracene {} {} {} {} {} {LY} 1,​8,​9-​Trihydroxyanthracene {} {} {} {} {} {} {LY} 1,​8,​9-​Trihydroxyanthracene {} {} {} {} {} {} {} {LY} 1,​8,​9-​Trihydroxyanthracene {} {} {} {} {} {} {} {} {LY} 1,​8,​9-​Trihydroxyanthracene {} {} {} {} {} {} {} {} {} {LY} 1,​8,​9-​Trihydroxyanthracene {} {} {} {} {} {} {} {} {} {} {LY} 1,​8,​9-​Trihydroxyanthracene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,​8,​9-​Trihydroxyanthracene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,​8,​9-​Trihydroxyanthracene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,​8,​9-​Trihydroxyanthracene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,​8,​9-​Trihydroxyan
CAS Number480-22-8
Reaxys-RN1976792
Beilstein Registry Number6(4)7602
PubChem Substance ID87576951
MDL NumberMFCD00001250
EC Number214-538-0
Merck Number14,684
Chemical Name Translation1,8,9-三羟基蒽
Wiswesser Line NotationL C666J BQ DQ NQ
LabNetwork Molecule IDLN01364941
Canonical SMILESOC1=C2C(O)=C3C(O)=CC=CC3=CC2=CC=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; alicycle; large ring; fused rings; 6ring; 10ring; 14ring; ketone; alcohol; 1fragment

相关文献及参考

  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keywor

安全信息

RTECSCB1225000
Signal word
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
Precautionary statements
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S37 Wear suitable gloves 戴适当手套;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 509 mg/kg/53W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 21,26,1978

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 240 mg/kg/50W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 229,255,1984

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 73 mg/kg/11W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   GANNA2 Gann.  Japanese Journal of Cancer Research.  (Tokyo, Japan)  V.1-75,
   1907-84.  For publisher information, see JJCREP.  Volume(issue)/page/year:
   59,187,1968

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >1600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 62,911,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - muscle weakness
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   DEBIDR Developments in Biochemistry.  (Elsevier Science Pub. Co., Inc., 52
   Vanderbilt Ave., New York, NY 10017)  V.1-    1978- Volume(issue)/page/year:
   23,759,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3216 mg/kg
TOXIC EFFECTS :
   Gastrointestinal - ulceration or bleeding from small intestine
   Gastrointestinal - hypermotility, diarrhea
   Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1542 mg/kg
TOXIC EFFECTS :
   Gastrointestinal - ulceration or bleeding from small intestine
   Gastrointestinal - hypermotility, diarrhea
   Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   59,180,1986

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 165 nmol/L
REFERENCE :
   ADVEA4 Acta Dermato-Venereologica.  (Almqvist & Wiksell, POB 45150, S-10430
   Stockholm, Sweden) V.1-    1920-  Volume(issue)/page/year: 51,45,1971

{haz

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - rat Embryo
DOSE/DURATION           : 6500 ng/L
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 67,1303,1981

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 500 ug/L
REFERENCE :
   NATUAS Nature.  (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736)
   V.1-    1869-  Volume(issue)/page/year: 294,263,1981

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Fibroblast
DOSE/DURATION           : 100 ug/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 3,499,1982

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 30 ug/L
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   59,180,1986

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Human Leukocyte
DOSE/DURATION           : 5 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 247,39,1991

TYPE OF TEST            : Mutatio

Storage condition

其他信息

  • 可燃性危险特性:高温可燃; 燃烧产生刺激烟雾
  • 图谱信息:1,8,9-三羟基蒽(480-22-8)质谱(MS) 1,8,9-三羟基蒽(480-22-8)红外图谱(IR2) 1,8,9-三羟基蒽(480-22-8)红外图谱(IR1) 1,8,9-三羟基蒽(480-22-8)核磁图( 13 CNMR) 1,8,9-三羟基蒽(480-22-8)核磁图( 1 HNMR)
  • 储运特性:库房通风低温干燥
  • 毒性分级:中毒
  • 类别:有毒物品
  • 急性毒性:口服-大鼠 LD50: 3216 毫克/公斤; 口服-小鼠 LD50: 1542 毫克/公斤
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • TCI Shanghai:1,8,9-三羟基蒽 1,8,9-Trihydroxyanthracene,>;95.0%(LC)(T)(480-22-8)
  • 1,8,9-三羟基蒽价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T1166 1,8,9-三羟基蒽 1,8,9-Trihydroxyanthracene 10G 2780元
  • MOL 文件:480-22-8.mol

系列性分类


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