HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzyl Violet 4B
violet2 · violet5b · violet6b · violet5bn · violetno1 · C.I. 42640 · violetno.1 · woolviolet
Identifiers & Physical Properties
| CAS No. | 1694-09-3 |
|---|---|
| Molecular formula | C39H40N3NaO6S2 |
| Average molar mass | 733.9 g/mol |
| Monoisotopic mass | 733.22562263 g/mol |
| SMILES | CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(CC)Cc3cccc(S(=O)(=O)[O-])c3)cc2)cc1.[Na+] |
| InChIKey | AXMCIYLNKNGNOT-UHFFFAOYSA-M |
| PubChem CID | 5284479 |
| DTXSID | DTXSID7021441 |
Chemical & Physical Properties
| Topological polar surface area | 141 |
|---|---|
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 10 |
| Heavy atoms | 51 |
| Formal charge | 0 |
| Complexity | 1,340 |
| Chemical classes | Carcinogens |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992)DMSO (Slightly), Methanol (Slightly) |
| Melting point | 473 to 482 °F (decomposes) (NTP, 1992)245-250°C |
| Physical Description | Benzyl violet 4b is a fine black powder. (NTP, 1992) |
| Storage conditions | Amber Vial, -20°C Freezer, Under inert atmosphere |
| Colour Index | 42640 |
| Physical state | Solid |
| Color | Blue |
| Stability | Incompatible with strong oxidizing agents. |
| CAS DataBase Reference | 1694-09-3(CAS DataBase Reference) |
| Substances Added to Food (formerly EAFUS) | FD&C VIOLET NO. 1--DELISTED |
| FDA UNII | 550X5X78WK |
| Proposition 65 List | Benzyl Violet 4B |
| IARC | 2B (Vol. 16, Sup 7) 1987 |
| EPA Substance Registry System | C.I. Acid Violet 49 (1694-09-3) |
| GHS pictogram | GHS08 |
| Signal word | Warning |
| GHS hazard statements | H351 |
| GHS precautionary statements | P201-P202-P280-P308+P313-P405-P501-P281 |
| Hazard symbols | Xn |
| Risk statements (R) | 40 |
| Safety statements (S) | 36/37-53 |
| UN transport number | 2811 |
| Water hazard class (WGK) | 1 |
| RTECS number | BQ1140000 |
| TSCA inventory status | TSCA listed |
| Customs code | 3204.12.5090 |
| Hazard class | 6.1 |
| Packing group | III |
| Hazardous substances data | 1694-09-3(Hazardous Substances Data) |
Safety & Regulations
| GHS classification | WarningH351: Suspected of causing cancer [Warning Carcinogenicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P203, P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P318, P321, P330, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatory information | Hazard Traits - CarcinogenicityThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Fire hazards | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| Health hazards | ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes of nitrogen oxides, ammonia, sodium oxide and sulfur oxides. (NTP, 1992) |
| Reactive group | Amines, Phosphines, and Pyridines |
| Reactivity Profile | BENZYL VIOLET 4B neutralizes acids in weakly exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute toxicity - category 3CarcinogensCarc. 2 |
| Fire fighting | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| First aid | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
Applications & Uses
Uses
Benzyl Violet is an impuriy of α,α-Bis[4-(dimethylamino)phenyl]-4-(methylamino)-benzenemethanol which is a product from degradation of methyl green.
General Description
Fine black powder.