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| CAS No.: | 8004-87-3 |
|---|---|
| Name: | Basic Violet 1 |
| Molecular Structure: | |
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| Formula: | C24H28ClN3 |
| Molecular Weight: | 393.96 |
| Synonyms: | Methylviolet (6CI);Aizen Methyl Violet BB;Aizen Methyl Violet Pure Special;BasicViolet 1;Basic Violet K;Basonyl Violet 600;C Ext. Violet5;C.I. 42535;Dahlia Michrome 105;Methyl Violet 2B;MethylViolet 6B;Methyl Violet B;Methyl Violet BB;Methyl Violet FN;Methyl VioletN;Methyl Violet PSL;Methyl Violet Pure Special;Methyl Violet pure SP;ParisViolet R;Pyoktanin blue;Pyoktaninum coeruleum;Violet Powder H 2503;C.I. Basic Violet 1; |
| EINECS: | 210-042-3 |
| Density: | 1.089g/cm3 |
| Melting Point: | 137 °C |
| Boiling Point: | 532.2 °C at 760 mmHg |
| Flash Point: | 275.7 °C |
| Solubility: | soluble in water |
| Appearance: | green crystalline powder with metal lustre |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 22-36 |
| Safety: | 26-36-24/25-22 |
| PSA: | 20.45000 |
| LogP: | -0.09810 |
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Consensus Reports
Specification
The IUPAC name of Methyl Violet BB is 4-[(4-dimethylaminophenyl)-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline hydrochloride . With the CAS registry number 8004-87-3, it is also named as Aizen Methyl Violet ; Basic Violet 1 ; Basic Violet K ; Basonyl Violet 600 ; C Ext. Violet 5 ; Methyl Violet FN ; Pyoktanin Blue ; Pyoktaninum coeruleum ; Benzenamine, 4,4'-[[4-(methylimino)-2,5-cyclohexadien-1-ylidene]methylene]bis[N,N-dimethyl-, hydrochloride (1:1) .
The Methyl Violet BB is green crystalline powder with metal lustre. It is soluble in water. The product's categories are analytical chemistry, pH indicators, analytical reagents, microscopy reagents and stains and dyes. It is atable under normal temperatures and pressures. When heated to decomposition it emits acrid smoke and irritating fumes. This product is used as a biological stain.
The Methyl Violet BB is harmful if swallowed. It is very toxic by inhalation. So people should not breathe dust and must avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.73 ; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 3 ; (4)#H bond donors: 0 ; (5)#Freely Rotating Bonds: 4 ; (6)Enthalpy of Vaporization: 80.79 kJ/mol ; (7)Vapour Pressure: 2.08E-11 mmHg at 25°C ; (8)Rotatable Bond Count: 4 ; (9)Exact Mass: 393.197176 ; (10)MonoIsotopic Mass: 393.197176 ; (11)Topological Polar Surface Area: 18.8 ; (12)Heavy Atom Count: 28 ; (13)Complexity: 560.
People can use the following data to convert to the molecule structure. SMILES: Cl.N(=C3\C=C/C(=C(/c1ccc(N(C)C)cc1)c2ccc(N(C)C)cc2)/C=C3)\C; InChI:InChI=1/C24H27N3.ClH/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5;/h6-17H,1-5H3;1H.
The following is the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 6mg/kg (6mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 1, Pg. 5, 1951. | |
| mouse | LD50 | oral | 105mg/kg (105mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 1, Pg. 5, 1951. | |
| rat | LD50 | oral | 413mg/kg (413mg/kg) | United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0382-0436, | |
| rat | LD50 | unreported | 975mg/kg (975mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 43(4), Pg. 102, 1978. |