Basic information
- CAS
1694-09-3- Standard 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- Molecular formula
- C39H40N3NaO6S2
- Average molar mass
- 733.9 g/mol
- Monoisotopic mass
- 733.22562263
Overview
Benzyl Violet 4B can cause cancer according to an independent committee of scientific and health experts.
Names & identifiers
- Preferred name
- Benzyl Violet 4B
- IUPAC
- sodium 3-[[4-[(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate
- English name
- Acid Violet 49
- Molecular formula
- C39H42N3NaO6S2
- Molecular weight
- 735.89
Names & synonyms
Benzyl Violet 4BDTXSID7021441RefChem:916990DTXCID501441Acid violet 6BFood Violet 2C.I. Acid Violet 49FD & C Violet No. 1Sodium 3-(((4-((4-(dimethylamino)phenyl)(4-(ethyl(3-sulfonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonateBenzyl Violet (Technical Grade)MFCD00054261Coomassie Violet; D and C Violet No. 1
Show more names
violet2violet5bviolet6bviolet5bnvioletno1C.I. 42640violetno.1woolviolet11386violetACID VIOLET
C39H40N3NaO6S2SCHEMBL5444580SCHEMBL9108467SCHEMBL29350184BAA69409AKOS015903676AKOS024421062fd&c violet no. 1 (c.i. 42640)
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,340
Experimental & physicochemical properties
Chemical ClassesCarcinogens
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Melting Point473 to 482 °F (decomposes) (NTP, 1992)
Physical DescriptionBenzyl violet 4b is a fine black powder. (NTP, 1992)
Physicochemical properties
- Melting point
- 245 · 245-250°C
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- Colour Index
- 42640 · 42640
- form
- Solid
- color
- Blue
- Stability
- Incompatible with strong oxidizing agents.
- CAS DataBase Reference
- 1694 · 1694-09-3(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H351: Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Danger
H301: 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)
Hazard information
Regulatory Information
Hazard Traits - Carcinogenicity
The 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 HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes of nitrogen oxides, ammonia, sodium oxide and sulfur oxides. (NTP, 1992)
Reactive GroupAmines, 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 ReactionsInsoluble in water.
Hazard Classes and Categories
Chemistry & industry
Uses & manufacturing
Use ClassificationFood Additives -> COLOUR -> JECFA Functional Classes
Applications
UsesBenzyl Violet is an impuriy of α,α-Bis[4-(dimethylamino)phenyl]-4-(methylamino)-benzenemethanol which is a product from degradation of methyl green.
General DescriptionFine black powder.
Upstream & downstream products
Upstream raw materials
Suppliers59 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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