5-Hydroxy-1,4-Naphthalenedione 5-羟基对萘醌

CAS 481-39-0 MFCD00001684

化学结构图

481-39-0
SMILES: O=C1C=CC(=O)c2c(O)cccc21

化学属性

Mol. FormulaC10H6O3
Mol. Weight174.16
Melting Point161-163 °C
Density1.422
TSCANo
SolubilitySoluble in DMSO (10 mg/ml), ethanol (10 mg/ml), benzene (Freely soluble), chloroform (Freely soluble), ether, aqueous solution of alkalies, and hot water.
Appearance 黄色针状结晶。熔点155℃。易溶于氯仿、苯，溶于醇、醚，溶于碱溶液呈紫红色，微溶于热水。可升华，能随水蒸气挥发。
Stability对光线敏感
Boiling Point265.11 °C at 760 mmHg

别名和识别编码

Chemical Name5-Hydroxy-1,4-Naphthalenedione
Synonym Juglone {LY} Juglone {} {LY} Juglone {} {} {LY} Juglone {} {} {} {LY} Juglone {} {} {} {} {LY} Juglone {} {} {} {} {} {LY} Juglone {} {} {} {} {} {} {} {} {} {} {} {} {LY} Juglone {} {} {} {} {} {} {} {LY} Juglone {} {} {} {} {} {} {} {} {LY} Juglone {} {} {} {} {} {} {} {} {} {LY} Juglone {} {} {} {} {} {} {} {} {} {} {LY} Juglone {} {} {} {} {} {} {} {} {} {} {} {LY} Juglone {} {} {} {} {} {} {} {} {} {} {} {} {LY} Juglone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Juglone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Juglone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Juglone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Juglone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Juglone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Juglone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number481-39-0
PubChem Substance ID3806
EC Number207-567-5
Beilstein Registry Number1909764
MDL NumberMFCD00001684
Reaxys-RN1909764
Merck Number5269
Chemical Name Translation5-羟基对萘醌
Wiswesser Line NotationL66 BV EVJ GQ
LabNetwork Molecule IDLN00239706
InChIInChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
Canonical SMILESO=C(C1=C2C=CC=C1O)C=CC2=O
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; ketone; alcohol; 1fragment
  • {SNA} Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SA} Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • Merck 14 ,5269
  • Beil. 8 ,IV,2368
  • Aldrich MSDS 1 , 1070:A / Corp MSDS 1 (1), 1943:C / FT-IR 2 (2), 2485:D / FT-IR 1 (2), 80:B / IR-Spectra (2), 784:G / IR-Spectra (3), 897:C / NMR-Reference 2 (2), 85:C / RegBook 1 (2), 1683:M / Sax 6 , 1585 / Sigma FT-IR 1 (2), 157:A / Structure Index 1 , 267:C:2
  • Short: III/10a Title: Structure Data of Organic Crystals: C ... C 15 Author: Schudt-Weitz, G.; Strell, I. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/10a Year: 1985 ISBN: 3-540-07834-7 ISBN: 978-3-540-07834-0 Internet Resource: DOI:10.1007/b19984 RefComment: XXII, 634 pages. Hardcover Abstract: The volume includes an alphabetical index of all substances and a separate "ring index" with all cyclic compounds.
  • 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 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: EINECS Titl

安全信息

GHS Symbol
WGK Germany3
Hazard Codes 6.1 T
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
RTECSQJ5775000
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P310
  • P301+P310+P330
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
  • S22 Do not breathe dust 不要吸入粉尘；
  • 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；
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
UN Number 2811 UN 2811 6.1/PG 3
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light Light Sensitive Refrigerator (+4°C) {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {}
Packing GroupIII
Hazard Class6.1 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 394 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            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2500 ug/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   SCIEAS Science.  (American Assoc. for the Advancement of Science, 1333 H
   St., NW, Washington, DC 20005)  V.1-    1895-  Volume(issue)/page/year:
   134,1617,1961

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 25 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- ,  Berdy, J., Boca
   Raton, FL, CRC Press, 1980-  Volume(issue)/page/year: 8(1),74,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 112 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   VPITAR Voprosy Pitaniya.  Problems of Nutrition.  (V/O Mezhdunarodnaya
   Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11-    1952-
   Volume(issue)/page/year: 42(5),67,1984

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TOXIA6 Toxicon.  (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW,
   UK)  V.1-    1962-  Volume(issue)/page/year: 6,99,1968

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 30 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 124,25,1983

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Rodent - mouse Ascites tumor
DOSE/DURATION           : 10 mg/kg
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 126,583,1967

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 10 pph
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 92,89,1982

其他信息

  • A compound that inhibits RNA polymerases
  • 用途一:胡桃醌具有止血和抗菌活性，也曾用于治疗湿疹、牛皮和发癣。作pH指标剂。
  • 方法一:胡桃醌作为氢化胡桃醌（三羟基萘）的苷存在于胡桃科植物胡桃及其同属植物黑核桃的未成熟的外果皮（青皮）中。可从天然物质中分离，也可化学合成。
  • Alfa Aesar:5-羟基-1,4-萘醌,99% 5-Hydroxy-1,4-naphthoquinone, 99%(481-39-0)
  • Sigma Aldrich:481-39-0(sigmaaldrich)
  • 图谱信息:5-羟基对萘醌(481-39-0)核磁图( 13 CNMR) 5-羟基对萘醌(481-39-0)质谱(MS) 5-羟基对萘醌(481-39-0)红外图谱(IR1) 5-羟基对萘醌(481-39-0)红外图谱(IR2)
  • 5-羟基对萘醌价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0286 5-羟基-1,4-萘醌 5-Hydroxy-1,4-naphthoquinone 5G 1630元 2014/06/02 H0286 5-羟基-1,4-萘醌 5-Hydroxy-1,4-naphthoquinone 1G 461元 2010/06/21 121640010 5-羟基对萘醌 5-Hydroxy-p-naphthoquinone 97% 1 GR 464元
  • 上游原料:N-羟基邻苯二甲酰亚胺
  • TCI Shanghai:5-羟基-1,4-萘醌 5-Hydroxy-1,4-naphthoquinone,>;98.0%(LC)(481-39-0)
  • Acros Organics:5-羟基-p-萘醌/5-羟基-1，4-萘醌/胡桃醌 5-Hydroxy-p-naphthoquinone, 97%(481-39-0)
  • MSDS 信息:Juglone(481-39-0).msds
  • MOL 文件:481-39-0.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  6. C10 - Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones 酮

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