1. chem960
  2. 518-82-1
Emodin | 518-82-1

Product Name:Emodin

CAS No:518-82-1
MF:C15H10O5
MW:270.2369
MDL:MFCD00001207
CID:37962
PubChem ID:3220
Introduction
        大黄素(Emodin)为蓼科植物虎杖的干燥根茎和根。掌叶大黄的根茎,属植物型药剂。大黄素的生理活性决定它不仅可用于医疗,亦可以用于保健和日用化工品中,如有人把它用于护发和护肤品中,亦有人把它编入天然色素中去。 国外,人们把它作为轻泻剂。
Names and Identifiers
  • Emodin
  • 1,3,8-Trihydroxy-6-methylanthraquinone
  • 6-Methyl-1,3,8-trihydroxyanthraquinone
  • emodin from frangula bark
  • 2-CHLOROPYRIDINE-3-BORONIC ACID
  • EMODIN(P)
  • EMODIN(P) PrintBack
  • EMODIN(RG)
  • Frangula emodin
  • 1,3,8-trihydroxy-6-methyl-9,10-anthraquinone
  • 1,3,8-TRIHYDROXY-6-METHYL-9-10-ANTHRACENEDIONE
  • 1,3,8-Trihydroxy-6-methylanthracene-9,10-dione
  • 1,3,8-Tri-hydroxy-6-methyl-anthra-quinone
  • Alatinone
  • Archin
  • Ecdyson
  • Emdin
  • EMODIN 99
  • EMODINE
  • EMODOL
  • schuttgelb
  • 1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione
  • 1,3,8-Tri­hydroxy-6-methyl­anthra­quinone
  • 6-Methyl-1,3,8-tri­hydroxy­anthra­quinone
  • Frangula-emodin
  • Frangulic acid
  • Rheum emodin
  • C.I. 75440
  • C.I. Natural Yellow 14
  • [ "1", "3", "8-Trihydroxy-6-methylanthraquinone" ]
  • 1
  • 3-Methyl-1,6,8-trihydroxyanthraquinone
  • Persian Berry Lake
  • 9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl-
  • 4,5,7-Trihydroxy-2-methylanthraquinone
  • NS
  • MLS000563068
  • ConMedNP.2906
  • 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE
  • MLS001066370
  • Schuttgelb
  • 1,3,8-trihydroxy-6-methyl-9,10-anthracenedione
  • 1,3,8-Trihydroxy 6-methyl 9,10-anthraquinone
  • Dataset-S1.56
  • MLS004257392
  • SMR000326798
  • MLSMR
  • MLS006011712
  • ConMedNP.2907
  • 518-82-1
  • ConMedNP.2908
  • Giant knotweed emodin
  • MDL:MFCD00001207
  • InChIKey:RHMXXJGYXNZAPX-UHFFFAOYSA-N
  • Inchi:1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
  • SMILES:O([H])C1=C([H])C(C([H])([H])[H])=C([H])C2C(C3C([H])=C(C([H])=C(C=3C(C=21)=O)O[H])O[H])=O
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 270.24g/mol
  • Surface Charge: 0
  • XLogP3: 2.7
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Rotatable Bond Count: 0
  • Exact Mass: 270.052823g/mol
  • Monoisotopic Mass: 270.052823g/mol
  • Topological Polar Surface Area: 94.8Ų
  • Heavy Atom Count: 20
  • Complexity: 434
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • 拓扑分子极性表面积(TPSA): 94.8
  • 形式电荷: 0
  • 功能3d受体数量: 2
  • 功能3 d环数量: 3
  • 有效转子数量: 0
  • 构象异构体抽样RMSD: 0.6
  • CID构象异构体数量: 1
  • 互变异构体数量: 135
  • 表面电荷: 0
  • 功能3 d供体数量: 3

Experimental Properties

  • Odor: Orange crystals
  • Stability Shelf Life: This chemcial may be sensitive to prolonged exposure to light. Solns of this chemical in water, DMSO, 95% ethanol or acetone should be stable for 24 hr under normal lab conditions (RAD).
  • Decomposition: When heated to decomp it emits acrid smoke and irritating fumes.
  • LogP: 1.88720
  • PSA: 94.83000
  • Merck: 3561
  • 折射率: 1.5000 (estimate)
  • 水溶性: <0.1 g/100 mL at 19 ºC
  • 闪点: 322.8 °C
  • 溶解性: 溶于乙醇,略溶于乙醚、氯仿、苯,不溶于水。溶于苛性碱水溶液、碳本酸钠水溶液,氨溶液中显樱红色
  • 敏感性: Light,Air sensitive
  • 密度: 1.3280 (rough estimate)
  • 气味: Orange crystals
Security Information
  • Symbol: GHS07
  • RTECS号:CB7920600
  • WGK Germany:3
  • 安全术语:S26;S37/39
  • 安全说明:S26-S36-S37/39
  • 风险术语:R36/37/38
  • 危險品標誌: Xi Xi
  • 危险品运输编号:NONH for all modes of transport
  • 危害声明:H315,H319,H335
  • 警示性声明:P261,P305+P351+P338
  • 提示语:警告
  • 储存条件:Powder -20°C 3 years   4°C 2 years In solvent -80°C 6 months   -20°C 1 month
  • 危险类别码:36/37/38
  • 信号词:Warning
  • FLUKA BRAND F CODES:8-10-23
Customs Data
  • 海关数据:

    中国海关编码:

    2914690090

    概述:

    2914690090 其他醌. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

    Summary:

    2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

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R006255-5g 80% 现货 5g ¥382 14 Jun. 2023
R006255-1g 80% 现货 1g ¥123 14 Jun. 2023
Brand:九鼎 Supplier:上海贤鼎生物科技有限公司
No. Purity Stock Specification Price update time operate
A-JL335-1g 98% 现货 1g ¥184.0 30 May. 2022
A-JL335-5g 98% 现货 5g ¥644.0 30 May. 2022
A-MF280-5g 90%(HPLC) 现货 5g ¥210.0 30 May. 2022
A-MF280-1g 90%(HPLC) 现货 1g ¥83.0 30 May. 2022
Brand:chemscene Supplier:ChemScence
No. Purity Stock Specification Price update time operate
CS-1412-200mg 99.39% In-stock 200mg $143.0/ ¥1,038.64 27 Apr. 2022
CS-1412-100mg 99.39% In-stock 100mg $77.0/ ¥559.27 27 Apr. 2022
CS-1412-50mg 99.39% In-stock 50mg $55.0/ ¥399.48 27 Apr. 2022
CS-1412-100g 99.39% Backordered 100g $375.0/ ¥2,723.70 02 Sep. 2021
CS-1412-25g 99.39% In-stock 25g $103.0/ ¥748.11 02 Sep. 2021
CS-1412-10g 99.39% In-stock 10g $56.0/ ¥406.74 02 Sep. 2021
Brand:chemfaces Supplier:ChemFaces
No. Purity Stock Specification Price update time operate
CFN98834-20mg >=98% 20mg $30/ ¥217.90 19 Sep. 2023
CFN98834-20mg >=98% 20mg $30/ ¥217.90 22 Jul. 2021
Brand:安捷凯 Supplier:武汉安捷凯生物医药科技有限公司
No. Purity Stock Specification Price update time operate
ajci16330-200mg 98% 现货 200mg ¥718.00 09 Sep. 2023
ajci16330-100mg 98% 现货 100mg ¥416.00 09 Sep. 2023
Brand:Acmec Supplier:上海吉至生化科技有限公司
No. Purity Stock Specification Price update time operate
E59750-25g 98% 现货 25g ¥858.0 09 Sep. 2021
E59750-1g 98% 7个工作日 1g ¥98.0 15 Feb. 2023
E59750-5g 98% 现货 5g ¥178.0 07 Sep. 2023
E59751-200mg 现货 200mg ¥458.0 09 Sep. 2021
E59751-100mg 现货 100mg ¥278.0 09 Sep. 2021
E59751-20mg 20mg ¥78.0 09 Sep. 2021
Brand:trc Supplier:TRC
No. Purity Stock Specification Price update time operate
E523000-1g 0.0 1g $623.00/ ¥4,524.97 18 May. 2023
E523000-250mg 0.0 250mg $210.00/ ¥1,525.27 18 May. 2023
E523000-100mg 0.0 100mg $ 91.00/ ¥660.95 07 Sep. 2023
E523000-50mg 0.0 50mg $ 64.00/ ¥464.84 07 Sep. 2023
E523000-25mg 0.0 25mg $ 51.00/ ¥370.42 07 Sep. 2023
Brand:astate Supplier:AstaTech
No. Purity Stock Specification Price update time operate
21452-100/G 97% Please enter Qty to check availability 100g $680/ ¥4,938.98 18 Sep. 2023
21452-25/G 97% Please enter Qty to check availability 25g $272/ ¥1,975.59 18 Sep. 2023
21452-5/G 97% Please enter Qty to check availability 5g $91/ ¥660.95 18 Sep. 2023
Brand:selleck Supplier:Selleck中国
No. Purity Stock Specification Price update time operate
S2295-50mg 99.75% 现货 50mg ¥647.01 16 Sep. 2023
S2295-10mM (1mL in DMSO) 99.75% 现货 10mM (1mL in DMSO) ¥567.53 16 Sep. 2023
Brand:bomeibio Supplier:合肥博美生物科技有限责任公司
No. Purity Stock Specification Price update time operate
BZP0044-20mg HPLC≥98% 现货 20mg ¥90元 15 Sep. 2023
Brand:aladdin Supplier:上海阿拉丁生化科技股份有限公司
No. Purity Stock Specification Price update time operate
E106693-100mg 分析标准品,≥96.0% (HPLC) 现货 100mg ¥247.90 03 Sep. 2023
E106693-50mg 分析标准品,≥96.0% (HPLC) 现货 50mg ¥148.90 03 Sep. 2023
E106693-20mg 分析标准品,≥96.0% (HPLC) 现货 20mg ¥85.90 03 Sep. 2023
E106693-1g 分析标准品,≥96.0% (HPLC) 现货 1g ¥1568.90 03 Sep. 2023
Brand:fluorochem Supplier:Fluorochem
No. Purity Stock Specification Price update time operate
032376-25g 95% < 4 weeks 25g £117.00/ ¥975.10 01 Mar. 2022
032376-10g 95% 2 10g £59.00/ ¥491.72 01 Mar. 2022
032376-5g 95% 4 5g £34.00/ ¥283.36 01 Mar. 2022
032376-1g 95% > 10 1g £11.00/ ¥91.68 01 Mar. 2022
Brand:a2bchem Supplier:A2B Chem LLC
No. Purity Stock Specification Price update time operate
AI51608-25g 98% in stock 25g $71.00/ ¥515.69 30 Dec. 2023
AI51608-5g 98% in stock 5g $23.00/ ¥167.05 30 Dec. 2023
AI51608-1g 98% in stock 1g $9.00/ ¥65.37 30 Dec. 2023
AI51608-250mg 98% in stock 250mg $7.00/ ¥50.84 30 Dec. 2023
AI51608-50mg 98% in stock 50mg $5.00/ ¥36.32 30 Dec. 2023
AI51608-1mg 98% in stock 1mg $4.00/ ¥29.05 30 Dec. 2023
Brand:1pchem Supplier:1PlusChem
No. Purity Stock Specification Price update time operate
1P00I9Q0-25g 98% In Stock USA 25g $81.00/ ¥588.32 16 Dec. 2023
1P00I9Q0-5g 98% In Stock USA 5g $26.00/ ¥188.84 16 Dec. 2023
1P00I9Q0-1g 98% In Stock USA 1g $10.00/ ¥72.63 16 Dec. 2023
1P00I9Q0-250mg 98% In Stock USA 250mg $8.00/ ¥58.11 16 Dec. 2023
1P00I9Q0-1mg 98% In Stock USA 1mg $4.00/ ¥29.05 16 Dec. 2023
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