4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline hydrochloride

• ChemBase ID: 107433
• Molecular Formular: C20H20ClN3
• Molecular Mass: 337.8459
• Monoisotopic Mass: 337.13457534
• SMILES: Cl.Cc1cc(ccc1N)/C(=C/1\C=CC(=N)C=C1)/c1ccc(N)cc1
• Canonical SMILES: N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1.Cl
• InChI: InChI=1S/C20H19N3.ClH/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;/h2-12,21H,22-23H2,1H3;1H/b20-14-,21-17?
• InChIKey: NIKFYOSELWJIOF-SVFFXJIWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline hydrochloride
• IUPAC Traditional name: 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline hydrochloride
• Synonyms: Fuchsin solution; Weigert’s solution; Gram’s fuchsin solution; ROSANILINE HYDROCHLORIDE; Fuchsin solution; C.I. 42510; Fuchsin basic; Basic Fuchsin; 品红 溶液; Weigert's 溶液 溶液; 革兰氏品红 溶液; 品红 溶液; 碱性品红

Database IDs

• CAS Number: 632-99-5
• EC Number: 231-791-2; 211-189-6
• MDL Number: MFCD00012569; MFCD18071399
• Beilstein Number: 4166684
• Merck Index: 145652
• PubChem SID: 24888964; 24845632; 162093213; 24845627; 24859747
• PubChem CID: 12447

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.07778809
• LogD (pH = 7.4): 0.50345176
• Log P: 3.327783
• Molar Refractivity: 120.9953 cm^3
• Polarizability: 36.266407 Å^3
• Polar Surface Area: 75.89 Å^2

PROPERTIES

Physical Property

• Solubility: Soluble in water
• Melting Point: 268-270°C dec.
• Flash Point: 11 °C; 14 °C; 51.8 °F; 57.2 °F
• Density: 0.80 g/mL at 20 °C; 0.82 g/mL at 20 °C; 0.999 g/mL at 20 °C
• Refractive Index: n20/D 1.334

Safety Information

• RTECS: CX9850000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Toxic (T); X; Harmful (Xn)
• UN Number: 1170; 2924
• German water hazard class: 2; 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-40; 11-40-50; 22-40; R:45
• Safety Statements: 16-36/37; 16-36/37-61; 36/37-60; S:28-36/37/39-45-53
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H351; H225-H351-H400; H301-H351
• GHS Precautionary statements: P210-P273-P281; P210-P281; P281-P301+P310-P321-P308+P313-P405-P501A
• Personal Protective Equipment: 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 2924 3/PG 2

Product Information

• Concentration: 2% ethanol; 2% in ethanol
• Grade: for microscopy
• Impurities: diamond fuchsin; ethanol
• Shelf Life: (limited shelf life, expiry date on the label)
• Quality: denaturated with 2-butanone; denatured with 2-butanone

DETAILS

MP Biomedicals - 05203708

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 03979

Application
for coloring of elastic fibres