4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium hydrogen sulfate

• ChemBase编号: 103078
• 分子式: C27H34N2O4S
• 平均质量: 482.63486
• 单一同位素质量: 482.22392858
• SMILES: CCN(CC)c1ccc(cc1)/C(=C\1/C=CC(=[N+](CC)CC)C=C1)/c1ccccc1.OS(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC
• InChI: InChI=1S/C27H33N2.H2O4S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
• InChIKey: NNBFNNNWANBMTI-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium hydrogen sulfate
• IUPAC传统名: 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium hydrogensulfate
• 别名: 乙基绿; 孔雀绿 G; 碱性绿 1; 翡翠绿; 金刚绿; 亮绿; Brilliant Green; Basic Green 1; Basic Green I; Astradiamant green GX; Diamond Green; Emerald Green; Ethyl Green; Malachite Green G; Solid Green JO; BRILLIANT GREEN; EMERALD GREEN; C.I. 42040

登记号

• CAS号: 633-03-4
• EC号: 211-190-1
• MDL号: MFCD00011880
• Beilstein号: 3901207
• 默克索引号: 141374
• PubChem SID: 24891745; 24857228; 24891935; 162090539
• PubChem CID: 12449
• Color Index Number: 42040

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.4782488
• LogD (pH = 7.4): 2.710758
• Log P: 2.714699
• 摩尔折射率: 150.5697 cm^3
• 极化性: 48.459423 Å^3
• 极化表面积: 6.25 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 210 °C (dec.)(lit.); 210°C; 210°C dec.
• 紫外吸收波长: λmax 428 nm; λmax 625 nm (2nd)

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: BP6825000
• 欧盟危险性物质标志: X; 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36; 22-36/37/38; R:36/37/38
• 安全公开号: 26; 9-26-36/37; S:20-25-26-37/39
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319-H335; H302-H319
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

产品相关信息

• 纯度: Dye Content ~90%
• 级别: certified by the Biological Stain Commission; indicator
• 主要成分: , ~90%; Dye content, ~90%; Dye content, ≥90%
• 适用性: passes test for suitability as indicator; passes test for UV spectrum
• Empirical Formula (Hill Notation): C27H34N2O4S

详细说明

MP Biomedicals - 05207275

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02150516

C.I. 42040
Dye content: ~ 90%

Sigma Aldrich - B4014

Suitability
Certified for bacteriostatic potency. Tested as a bacteriostatic agent against a spore-former and two members of the colon-typhoid group.

Sigma Aldrich - B6756

包装
100 g in glass bottle