(1R,10S)-8-oxatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,12(17),13,15-hexaene-5,6,10,14,15-pentol

• ChemBase编号: 73008
• 分子式: C16H14O6
• 平均质量: 302.27876
• 单一同位素质量: 302.07903817
• SMILES: [C@]12([C@@H](c3c(OC1)c(c(cc3)O)O)c1c(C2)cc(c(c1)O)O)O
• Canonical SMILES: Oc1cc2C[C@@]3([C@H](c2cc1O)c1ccc(c(c1OC3)O)O)O
• InChI: InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/m0/s1
• InChIKey: WZUVPPKBWHMQCE-XJKSGUPXSA-N

名称和登记号

名称

• IUPAC标准名: (1R,10S)-8-oxatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,12(17),13,15-hexaene-5,6,10,14,15-pentol; (1R,10S)-8-oxatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2,4,6,12(17),13,15-hexaene-5,6,10,14,15-pentol; (1R,10S)-8-oxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^7]heptadeca-2(7),3,5,12(17),13,15-hexaene-5,6,10,14,15-pentol; (1R,10S)-8-oxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^7]heptadeca-2(7),3,5,12,14,16-hexaene-5,6,10,14,15-pentol
• IUPAC传统名: (+)-hematoxylin; (1R,10S)-8-oxatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2,4,6,12(17),13,15-hexaene-5,6,10,14,15-pentol
• 别名: Weigert 苏木精溶液 A; Delafield 苏木精; Delafield 苏木精溶液; Hematoxylin monohydrate; Hydroxybrazilin; Natural Black 1; Hematoxylin(Hydroxybrazilin); Hematoxylin solution A according to Weigert; Hematoxylin Solution, Gill No. 1; HEMATOXYLIN; Delafield’s hematoxylin; Hematoxylin solution according to Delafield; Hematoxyline; (6aS,11bR)-6,6a,7,11b-tetrahydroindeno[2,1-c]chromene-3,4,6a,9,10-pentaol; Hematoxylin; Hematoxylin Solution, Harris Modified; Hematoxylin Solution, Mayer’s; Hematoxylin; Hematoxylin monohydrate

登记号

• CAS号: 517-28-2
• EC号: 208-237-3
• MDL号: MFCD00078111
• Beilstein号: 91400; 91401
• PubChem SID: 24895880; 24895388; 24895879; 24897409; 24895878; 24873646; 24895554; 24895877; 162037928; 24897407; 24859761; 24845630; 24897406; 24895389; 24897405; 24895860; 24897408; 24895387; 24845629
• PubChem CID: 442514
• Color Index Number: 75290

理论计算性质

• 里宾斯基五规则: true
• Acid pKa: 9.166513
• 质子受体: 6
• 质子供体: 5
• LogD (pH = 5.5): 1.4732078
• LogD (pH = 7.4): 1.4659489
• Log P: 1.4733008
• 摩尔折射率: 77.4827 cm^3
• 极化性: 29.463032 Å^3
• 极化表面积: 110.38 Å^2
• 可自由旋转的化学键: 0

分子性质

理化性质

• 溶解度: 95% ethanol: soluble1 mg/mL
• 外观: orange-red liquid (clear)
• 熔点: 200 °C (dec.)(lit.)
• 闪点: 107.6 °F; 12 °C; 14 °C; 42 °C; 53.6 °F; 57.2 °F
• 密度: 0.83-0.85 g/mL at 20 °C; 0.84 g/mL at 20 °C; 1.00-1.04 g/mL at 20 °C
• pH值: 2.4 (25 °C)

安全信息

• 保存条件: -20°C
• RTECS编号: MH7875000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1170; 1993
• 德国WGK号: 1; 2; 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2; 3
• 危险公开号: 10-20/21/22-39/23/24/25; 11; 22; 22-36/37/38
• 安全公开号: 16; 26-36; 36/37
• GHS危险品标识: GHS02; GHS05; GHS07; GHS08
• GHS警示词: Danger; Warning
• GHS危险声明: H225-H315-H319; H226-H302-H370; H302-H315-H319; H302-H315-H319-H335; H302-H318
• GHS警示性声明: P210-P305 + P351 + P338; P260-P307 + P311; P261-P305 + P351 + P338; P280-P305 + P351 + P338; P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1170 3/PG 2; UN 1993 3/PG 3

药理学性质

• 相关基因信息: rat ... Adora1(29290), Adora2a(25369)

产品相关信息

• 纯度: 96%
• 浓度: 100 g/L
• 级别: certified by the Biological Stain Commission; for microscopy; for microscopy (Hist.); indicator (pH 5.0-6.0); SAJ special grade
• 成盐信息: Free Base
• 杂质: ammonium alum; ethanol; methanol
• 临床用途: for in vitro diagnostic use
• 有效期: (Expiry date on the label.)
• 产品质量级别: IVD
• 品质说明: hematoxylin solution 100 g/l
• Empirical Formula (Hill Notation): C16H14O6 · xH2O
• 分类: Genuine Natural Compounds

详细说明

MP Biomedicals - 05209476

MP Biomedicals Rare Chemical collection

Selleck Chemicals - S2384

Research Area: Cancer
Biological Activity:
Hematoxylin(Hydroxybrazilin) is a compound that forms strongly colored complexes with certain metal ions, notably Fe(III) and Al(III) salts and a kind of stain in histology. It is extracted from the bark of the logwood tree. Metal-haematein complexes are used to stain cell nuclei prior to examination under a microscope. Structures that stain with iron- or aluminium-haematein are often called basophilic, even though the mechanism of the staining is different from that of staining with basic dyes. Haematoxylin and eosin stain is one of the most commonly used stains in histology. [1]

Sigma Aldrich - HHS16

Application
General purpose nuclear stain, regressive type. Used with hematoxylin and eosin staining.
Other Notes
7 g/L certified hematoxylin

Sigma Aldrich - HHS128

Application
General purpose nuclear stain, regressive type. Used with hematoxylin and eosin staining.
Other Notes
7 g/L certified hematoxylin

Sigma Aldrich - GHS132

Application
General purpose nuclear stain, progressive type. Used with hematoxylin and eosin staining.
Other Notes
2 g/L certified hematoxylin

Sigma Aldrich - MHS1

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
General purpose nuclear stain, progressive type. Used with hematoxylin and eosin staining.
General description
Used as a counterstain for procedures such as immunohistochemistry or laser microdissection.
Other Notes
1 g/L certified hematoxylin

Sigma Aldrich - HHS80

Application
General purpose nuclear stain, regressive type. Used with hematoxylin and eosin staining.
Other Notes
7 g/L certified hematoxylin

Sigma Aldrich - MHS32

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
General purpose nuclear stain, progressive type. Used with hematoxylin and eosin staining.
General description
Used as a counterstain for procedures such as immunohistochemistry or laser microdissection.
Other Notes
1 g/L certified hematoxylin

Sigma Aldrich - MHS16

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
General purpose nuclear stain, progressive type. Used with hematoxylin and eosin staining.
General description
Used as a counterstain for procedures such as immunohistochemistry or laser microdissection.
Other Notes
1 g/L certified hematoxylin

Sigma Aldrich - GHS1128

Application
General purpose nuclear stain, progressive type. Used with hematoxylin and eosin staining.
Other Notes
2 g/L certified hematoxylin

Sigma Aldrich - HHS32

Application
General purpose nuclear stain, regressive type. Used with hematoxylin and eosin staining.
Other Notes
7 g/L certified hematoxylin

Sigma Aldrich - MHS80

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
General purpose nuclear stain, progressive type. Used with hematoxylin and eosin staining.
General description
Used as a counterstain for procedures such as immunohistochemistry or laser microdissection.
Other Notes
1 g/L certified hematoxylin

Sigma Aldrich - MHS128

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
General purpose nuclear stain, progressive type. Used with hematoxylin and eosin staining.
General description
Used as a counterstain for procedures such as immunohistochemistry or laser microdissection.
Other Notes
1 g/L certified hematoxylin

Sigma Aldrich - GHS116

Application
General purpose nuclear stain, progressive type. Used with hematoxylin and eosin staining.
Other Notes
2 g/L certified hematoxylin

Sigma Aldrich - H3136

包装
25, 100 g in glass bottle
Suitability
Certified for use in Weigert′s iron hematoxylin, Mayer′s hemalum, Harris hemalum and in Heidenhain′s technique

参考文献

• http://en.wikipedia.org/wiki/Haematoxylin