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| CAS No.: | 58969-01-0 |
|---|---|
| Name: | FUCHSIN BASIC |
| Molecular Structure: | |
|
|
|
| Formula: | C20H20ClN3 |
| Molecular Weight: | 337.85 |
| Synonyms: | Basic Violet 14 (42510); Fuchsin(e); Magenta Red |
| EINECS: | 211-189-6 |
| Density: | 0.999 g/mL at 20 °C |
| Melting Point: | 205°C |
| Boiling Point: | 570.8 °C at 760 mmHg |
| Flash Point: | 299 °C |
| Appearance: | green crystalline powder |
| Hazard Symbols: |
 F, Xn
|
| Risk Codes: | 40 |
| Safety: | 7-16-36/37 |
| Transport Information: | UN 2924 |
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Specification
This chemical is called Fuchsin basic, and its systematic name is 4-[(4-amino-3-methylphenyl)(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-iminium chloride. With the molecular formula of C20H20ClN3, its molecular weight is 337.85. The CAS registry number of this chemical is 58969-01-0. Additionally, this chemical is green crystalline powder.
Other characteristics of the Fuchsin basic can be summarised as followings: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 3; (8)ACD/KOC (pH 7.4): 54; (9)#H bond acceptors: 3; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 75.89 Å2; (13)Flash Point: 299 °C; (14)Enthalpy of Vaporization: 85.6 kJ/mol; (15)Boiling Point: 570.8 °C at 760 mmHg; (16)Vapour Pressure: 4.86E-13 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical has limited evidence of a carcinogenic effect. Keep the container tightly closed. Keep it away from sources of ignition. Wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
1.SMILES: [Cl-].[NH2+]=C\1/C=C\C(/C=C/1)=C(/c2ccc(N)c(C)c2)c3ccc(N)cc3
2.InChI: InChI=1/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?;
3.InChIKey: NIKFYOSELWJIOF-SVFFXJIWBQ