4-{[4-(dimethylamino)phenyl](phenyl)methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride

• ChemBase编号: 3532
• 分子式: C23H25ClN2
• 平均质量: 364.911
• 单一同位素质量: 364.17062649
• SMILES: CN(C)c1ccc(cc1)/C(=C\1/C=CC(=[N+](C)C)C=C1)/c1ccccc1.[Cl-]
• Canonical SMILES: C[N+](=C1C=C/C(=C(/c2ccc(cc2)N(C)C)\c2ccccc2)/C=C1)C.[Cl-]
• InChI: InChI=1S/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1
• InChIKey: FDZZZRQASAIRJF-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 4-{[4-(dimethylamino)phenyl](phenyl)methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride
• IUPAC传统名: malachite green chloride; @malachite green chloride
• 别名: 孔雀绿 溶液; N,N,N′,N′-四甲基-4,4′-二氨基三苯基碳正离子氯化物; 孔雀石绿; 碱性绿 4; 孔雀石绿氯化物; Malachite Green; CHINA GREEN; VICTORIA GREEN G; N-[4-[[4-(Dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methylmethanaminium Chloride; Astra Malachite Green; Astra Malachite Green B; Astra Malachite Green BXX; Basonyl Green 830; Basonyl Green NB 832; Benzal Green; Victoria Green; Aniline green; Basic green 4; Diamond green B; Victoria green B; Malachite Green solution; N,N,N′,N′-Tetramethyl-4,4′-diaminotriphenylcarbenium chloride; Malachite Green; Malachite Green chloride

登记号

• CAS号: 569-64-2; 2437-29-8
• EC号: 209-322-8
• MDL号: MFCD00011751
• Beilstein号: 3580148
• PubChem SID: 160966971; 46505481
• PubChem CID: 11295; 11294
• ATC码: QP53AX16
• CHEMBL: 186357
• Chemspider ID: 10820
• 美国药典/FDA物质标识码: 12058M7ORO
• 维基百科标题: Malachite_green
• Color Index Number: 42000

理论计算性质

JChem

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.2445621
• LogD (pH = 7.4): 1.2868999
• Log P: 1.2874672
• 摩尔折射率: 131.5753 cm^3
• 极化性: 41.071583 Å^3
• 极化表面积: 6.25 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 0.25
• LOG S: -5.42
• 溶解度: 1.38e-03 g/l

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: Dark Green Solid
• 熔点: 158-160°C

安全信息

• 保存条件: Refrigerator
• RTECS编号: BQ1180000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2811
• 德国WGK号: 2; 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 52/53; 63-22-41-50/53
• 安全公开号: 26-36/37-39-46-60-61; 61
• GHS危险品标识: GHS05; GHS07; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H302-H318-H361d-H410; H412
• GHS警示性声明: P273; P273-P280-P305 + P351 + P338-P501
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves; Eyeshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

产品相关信息

• 纯度: ≥96.0% (HPLC)
• 级别: analytical standard; for microscopy
• 有效期: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C23H25ClN2

详细说明

MP Biomedicals - 05219864

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05212214

MP Biomedicals Rare Chemical collection

DrugBank - DB03895

Drug information: experimental

Sigma Aldrich - 38978

Components
组成 孔雀绿 10g/L，水溶液（草酸盐形式）
Application
按照 Schaeffer 和 Fulton 方法对细菌孢子染色；与革兰氏染料结合形成帕二氏染剂
General description
孔雀绿用于按照 Schaeffer 和 Fulton 方法进行细菌孢子染色。当本品结合革兰氏染色剂时，其作用相当于帕二氏染剂中的甲基绿。

Toronto Research Chemicals - M110400

A triphenylmethane dye with fungicidal and limited antiseptic activity. The term Malachine green applies to the oxalate as well as the chloride. Harmful if swallowed. Avoid release to the environment.

参考文献

• Carter, S.G., et al.: J. Biochem. Biophys. Methods, 7, 7 (1982)
• Saikan, S., et al.: J. Chem. Phys., 79, 4154 (1982)
• Clemmensen, S., et al.: Arch. Toxicol., 56, 43 (1982)