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| CAS No.: | 548-62-9 |
|---|---|
| Name: | Crystal Violet |
| Article Data: | 47 |
| Molecular Structure: | |
|
|
|
| Formula: | C25H30ClN3 |
| Molecular Weight: | 407.986 |
| Synonyms: | Hexamethyl-p-rosaniline hydrochloride;NCI-C55969;Bismuth Violet;Genapax (TN);PYOVERM;Methylrosanilinium chloride;Paper Blue R;Crystal Violet AON;Crystal Violet 6BO;[4-[bis(4-dimethylaminophenyl)methylidene]-1-cyclohexa-2,5-dienylidene]-dimethyl-azanium;Methyl Violet 6B (biological stain);Violet CP;Crystal Violet 10B;Meroxylan-Wander;Crystal Violet Extra Pure APN;12416 Violet;Methylrosanilinium chloride (JP14);Pyoktanin;Crystal Violet SS;Crystal Violet chloride;CI 42555;Crystal Violet FN;Crystal Violet BP;[4-[bis(4-dimethylaminophenyl)methylidene]-1-cyclohexa-2,5-dienylidene]-dimethyl-azanium chloride;Methyl Violet 10BO;Crystal Violet Extra Pure;Aizen Crystal Violet Extra Pure;Oxycolor;Crystal Violet chloride salt;C.I. 42555;Crystal Violet AO;Violet XXIII;Crystal Violet USP;Methyl Violet 6B;Crystal Violet HL2;Pararosaniline, N,N,N,N,N,N-hexamethyl-, chloride;Ammonium, [4-[bis[p-(dimethylamino)phenyl]methylene]-2, 5-cyclohexadien-1-ylidene]dimethyl-, chloride;Gentersal;Crystal Violet Pure DSC Brilliant;Crystal violet (C.I. 42555);Gentian violet (USP);Hexamethylpararosaniline chloride;Viocid;Methyl Violet 10BNS;Vermicid;Adergon;Methyl Violet 10BK;Avermin;Mitsui Crystal Violet;Axuris;KRISTALL-VIOLETT;Crystal Violet BPC;Methyl Violet 5BO;Atmonil;Plastoresin Violet 5BO;Oxyozyl;Crystal Violet Pure DSC;Aizen Crystal Violet;Badil; |
| EINECS: | 208-953-6 |
| Density: | 1.19 g/cm3 (20oC) |
| Melting Point: | 205 °C (dec.)(lit.) |
| Boiling Point: | 560.86°C (rough estimate) |
| Flash Point: | 40 °C |
| Solubility: | 16 g/L (25 °C) in water |
| Appearance: | dark green powder or crystals |
| Hazard Symbols: |
 Xn,  N,  T,  C
|
| Risk Codes: | 52/53-50/53-45-41-22-40-34-10-36/37/38-23/25 |
| Safety: | 61-60-53-45-46-36/37/39-26-39-36/37-16-22 |
| Transport Information: | UN 3077 9/PG 3 |
| PSA: | 9.49000 |
| LogP: | 1.46360 |
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
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| Conditions | Yield |
|---|---|
| With hydrogenchloride; chloranil In ethanol; water at 65℃; for 5h; Reagent/catalyst; | 95.7% |
| Conditions | Yield |
|---|---|
| With aniline hydrochloride at 90℃; for 0.05h; Irradiation; | 86% |
| Stage #1: N,N-dimethyl-aniline; 4-dimethylamino-benzaldehyde With acetic acid at 100℃; for 8h; Inert atmosphere; Stage #2: With chloranil; sodium nitrite In acetic acid at 50℃; for 12h; | 80% |
| Conditions | Yield |
|---|---|
| With bentonitic clay for 1h; Microwave irradiation; | A 21% B 70% |
- 62-53-3
aniline
- 90-94-8
bis(p-dimethylaminophenyl)methanone
A
- 119-58-4
4,4'-bis(dimethylamino)benzhydrol
B
- 26514-42-1
N-methylene>aniline
C
- 548-62-9
crystal violet
| Conditions | Yield |
|---|---|
| Stage #1: bis(p-dimethylaminophenyl)methanone With potassium In tetrahydrofuran Stage #2: aniline In tetrahydrofuran for 24h; | A 35% B 58% C n/a |
- 121-69-7
N,N-dimethyl-aniline
A
- 366-29-0
N,N,N',N'-tetramethylbenzidine
B
- 548-62-9
crystal violet
C
- 101-61-1
4,4'-methylene-bis(N,N-dimethylaniline)
| Conditions | Yield |
|---|---|
| With bentonitic clay for 0.416667h; Microwave irradiation; | A 19% B 36% C 34% |
| Conditions | Yield |
|---|---|
| With anthracene; iron(III) chloride at 85℃; for 30h; Product distribution; other time 5h, various aromatic compounds (or graphit) as ligand; | A 15% B n/a |
| Conditions | Yield |
|---|---|
| With air; C6H5COC6H4CH2N(C2H5)3(1+)*Br(1-) In acetonitrile Product distribution; Mechanism; Irradiation; further benzophenone derivatives, salt effect; | |
| With 2,2'-azobis(isobutyronitrile); oxygen; lithium chloride In hydrogenchloride at 60℃; for 0.333333h; Rate constant; initiator or inhibitor of the oxidation, different solvents, 80 deg C; | |
| With oxygen; copper dichloride In ethanol at 50℃; for 1h; Rate constant; Mechanism; in the presence of LiCl; in the presence of CuCl and HCl; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride Geschwindigkeit der Bildung; | |
| In water Equilibrium constant; |
- 594-42-3
chlorothio-trichloro-methane
- 121-69-7
N,N-dimethyl-aniline
A
- 13604-44-9
bis(N,N-dimethylanilin-4-yl)sulfide
B
- 548-62-9
crystal violet
| Conditions | Yield |
|---|---|
| With aluminium trichloride at 100 - 110℃; |
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Chemistry
Structure of Aniline violet (CAS NO.548-62-9):
Empirical Formula: C25H30ClN3
Molecular Weight: 407.9788g/mol
EINECS: 208-953-6
IUPAC Name: [4-[bis(4-dimethylaminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
Melting point: 215 ºC
Flash Point: 40 °C
Water solubility: 16 g/L (25 ºC)
Stability: Stable. Incompatible with strong oxidizing agents, strong acids. Light-sensitive. Combustible.
Product Categories: Dyes and Pigments;Colours, Dyes, Indicators & Pigments;Analytical Chemistry;Indicator (pH);Ion Association;pH Indicators;Microscopy Reagents and Kits;Staining Solutions;Staining Solutions for Simple Stains of Bacteria;Hematology and Histology;Histology Special Stains;Indicator SolutionsTitration;Indicators;Indicators for non-aqueous titrations;Titration;G-H-I;Stains and Dyes;Stains&Dyes, A to
Canonical SMILES: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-]
InChI: InChI=1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1
InChIKey: ZXJXZNDDNMQXFV-UHFFFAOYSA-M
Uses
Aniline violet (CAS NO.548-62-9) is used as acid base indicator, denaturant for alc, biological stain, dye for textiles, pigments。
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LDLo | oral | 100mg/kg (100mg/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: NAUSEA OR VOMITING | Toxicology and Applied Pharmacology. Vol. 22, Pg. 1, 1972. |
| dog | LDLo | oral | 1gm/kg (1000mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) GASTROINTESTINAL: NAUSEA OR VOMITING | Toxicology and Applied Pharmacology. Vol. 22, Pg. 1, 1972. |
| guinea pig | LDLo | intraperitoneal | 10mg/kg (10mg/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Proceedings of the Society for Experimental Biology and Medicine. Vol. 31, Pg. 825, 1934. |
| guinea pig | LDLo | oral | 100mg/kg (100mg/kg) | BEHAVIORAL: ATAXIA | Toxicology and Applied Pharmacology. Vol. 22, Pg. 1, 1972. |
| mouse | LD50 | intraperitoneal | 5100ug/kg (5.1mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 1, Pg. 5, 1951. | |
| mouse | LD50 | oral | 96mg/kg (96mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 1, Pg. 5, 1951. | |
| mouse | LDLo | intravenous | 20mg/kg (20mg/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Proceedings of the Society for Experimental Biology and Medicine. Vol. 31, Pg. 825, 1934. |
| rabbit | LD50 | intraduodenal | 160mg/kg (160mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 1, Pg. 5, 1951. | |
| rabbit | LD50 | intraperitoneal | 5mg/kg (5mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 1, Pg. 5, 1951. | |
| rabbit | LD50 | oral | 150mg/kg (150mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 1, Pg. 5, 1951. | |
| rat | LD50 | intraperitoneal | 8900ug/kg (8.9mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 1, Pg. 5, 1951. | |
| rat | LD50 | oral | 420mg/kg (420mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 1, Pg. 5, 1951. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of Aniline violet (CAS NO.548-62-9):
Hazard Codes:Xn 
,N 
,T 
,C 
Risk Statements: 52/53-50-45-41-22-40-34-10-36/37/38-23/25
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R50: Very toxic to aquatic organisms.
R45: May cause cancer.
R41: Risk of serious damage to the eyes.
R22: Harmful if swallowed.
R40: Limited evidence of a carcinogenic effect.
R34: Causes burns.
R10: Flammable.
R36/37/38: Irritating to eyes, respiratory system and skin.
R23/25: Toxic by inhalation and if swallowed.
Safety Statements: 61-60-53-45-46-36/37/39-26-16-22
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.
S60: This material and its container must be disposed of as hazardous waste.
S53: Avoid exposure - obtain special instructions before use.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S46: If swallowed, seek medical advice immediately and show this container or label.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S16: Keep away from sources of ignition.
S22: Do not breathe dust.
RIDADR:UN 3077 9/PG 3
WGK Germany:3
RTECS:BO9000000
HazardClass:9
PackingGroup:III
HS Code:32041300
Poison by ingestion, intravenous, and intraperitoneal routes. An experimental teratogen. Other experimental reproductive effects. A human skin irritant. Human mutation data reported. Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits very toxic fumes of NOx and Cl?.
Specification
Synonyms of Aniline violet (CAS NO.548-62-9): 4-(Bis(p-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)dimethylammonium chloride ; Adergon ; Aizen Crystal Violet Extra Pure ; Aniline Violet ; Atmonil ; Basic Violet 3 ; Bismuth Violet ; Blaues pyoktanin Brilliant Violet 5B ; Calcozine Violet 6BN ; Chlorure de methylrosanilinum ; Cloruro de metilrosanilina ; Crystal Violet ; Genapax ; Gentersal ; Gentian Violet ; Gentianaviolett ; Genticid ; Gentioletten ; Hectograph Violet SR ; Hexamethyl Violet ; Hexamethyl p-rosaniline hydrochloride ; Hidaco Brilliant Crystal Violet ; Kristall-violett ;
Meroxyl ; Meroxylan-wander ; Methyl Violet 6B (biological stain) ; Methylrosanilinchlorid ; Methylrosanilinii chloridum ;
Methylrosanilinum chloratum ; Methylviolett ; Metilrosanilinio cloruro ; Pyoverm ; Vermicid ; Vianin ; Violet zasadita 3 .
First Aid Measures of Aniline violet (548-62-9):
Ingestion:Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Skin:Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Eyes:Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Storage of Aniline violet (CAS NO.548-62-9):
Keep away from heat, sparks, and flame. Store in a cool, dry place. Keep containers tightly closed. Store protected from light.