7-(dimethylamino)-N,N-dimethyl-3H-phenothiazin-3-iminium chloride

• ChemBase编号: 128361
• 分子式: C16H18ClN3S
• 平均质量: 319.85222
• 单一同位素质量: 319.09099627
• SMILES: CN(C)c1ccc2c(c1)sc1cc(=[N+](C)C)ccc1n2.[Cl-]
• Canonical SMILES: CN(c1ccc2c(c1)sc1c(n2)ccc(=[N+](C)C)c1)C.[Cl-]
• InChI: InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1
• InChIKey: CXKWCBBOMKCUKX-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 7-(dimethylamino)-N,N-dimethyl-3H-phenothiazin-3-iminium chloride
• IUPAC传统名: 7-(dimethylamino)-N,N-dimethylphenothiazin-3-iminium chloride
• 别名: 亚甲蓝 溶液; Methylene Blue solution alkaline according to Loeffler; 亚甲蓝 三水合物; 亚甲基兰; Methylene blue; Methylene Blue solution; Loeffler’s alkaline methylene blue stain solution; Methylene Blue - potassium hydroxide solution; Methylene Blue solution alkaline according to Loeffler; Ehrlich’s reagent III; Loeffler’s Methylene Blue; Methylene Blue – potassium hydroxide solution; Methylene Blue trihydrate; Methylene Blue

登记号

• CAS号: 61-73-4; 7220-79-3
• EC号: 200-515-2; 231-791-2
• MDL号: MFCD00012111
• Beilstein号: 3599847; 3641570
• PubChem SID: 24884898; 24858888; 162222669; 24850898
• PubChem CID: 6099
• CHEBI ID: 6872
• ATC码: V03AB17; V04CG05
• CHEMBL: 405110
• Chemspider ID: 5874
• 美国药典/FDA物质标识码: 8NAP7826UB
• 维基百科标题: Methylene_blue
• Color Index Number: 52015

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -0.6216443
• LogD (pH = 7.4): -0.61979914
• Log P: -0.6197756
• 摩尔折射率: 103.881 cm^3
• 极化性: 32.736115 Å^3
• 极化表面积: 18.61 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Liquid
• 熔点: 100-110 °C (with decomposition); 190 °C (dec.)(lit.)
• 沸点: Decomposes
• 闪点: 113 °F; 14 °C; 29 °C; 45 °C; 57.2 °F; 84.2 °F
• 密度: 0.98 g/mL at 25 °C
• 折射率: n20/D 1.347
• 紫外吸收波长: λmax 665 nm

安全信息

• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1170; 1993
• 德国WGK号: 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; 11; 22
• 安全公开号: 16
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Danger; Warning
• GHS危险声明: H225; H226; H302
• GHS警示性声明: P210
• 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; Eyeshields, Gloves
• RID/ADR: UN 1170 3/PG 2; UN 1993 3/PG 3

产品相关信息

• 纯度: ≥98.5%; 1% w/v aq. soln.
• 浓度: ~0.5 % (w/v) in H2O; 0.05 wt. % in H2O; 1.4 % (w/v) in 95% ethanol
• 级别: for microbiology; for microscopy; JIS special grade
• 主要成分: dye (C.I.No. 52015), 0.3 % (w/v) (in ethanol:0.1% aqueous KOH 3:10)
• 适用性: suitable for bacterial staining
• 临床用途: for in vitro diagnostic use
• 有效期: (limited shelf life, expiry date on the label); (limited; expiry date on the label)
• 产品质量级别: IVD
• Empirical Formula (Hill Notation): C16H18ClN3S; C16H18ClN3S · 3H2O

详细说明

Sigma Aldrich - 77515

Components
Composition:methylene blue 0.3 gethanol 30 mlwater 100 ml
Application
Loefflers Methylene Blue stain is used for the identification of diphteria bacilli, since it differentiates the deeply staining metachromatic granules from the pale blue-staining cytoplasm.

Sigma Aldrich - 66725

Other Notes
Prepared according to Clark1

Sigma Aldrich - 50484

Components
reagent contains:methylene blue 0.5 gdistilled water 100 ml
General description
Methylene Blue was earlier recognized as a good nuclear stain, the staining solutions are always either aged or alkalized, if not both. More importantly it is an excellent stain for ribonucleic acid, which is the important stainable constituent of bacterial bodies, of lymphocyte and hemoportoal cytoplasm, and of nerve cell tigroid granules. It can also be employed in capsule stain. The capsule stain begins as a negative stain leaving the organisms colorless. The capsule are clearly seen as halo surrounding the bacterial cell. Another staining procedure is performed with nigrosin (Fluka 43925).

Sigma Aldrich - 1808

Application
Used as a nuclear counterstain in the various Lymphocyte Enzyme kits, Procedure No. 181

Sigma Aldrich - 19-3240

Suitability
bacterial staining

Sigma Aldrich - 319112

包装
100 mL in glass bottle