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| CAS No.: | 2150-48-3 |
|---|---|
| Name: | CI 45010 |
| Article Data: | 5 |
| Molecular Structure: | |
|
|
|
| Formula: | C21H27 N2 O . Cl |
| Molecular Weight: | 521.117 |
| Synonyms: | Ammonium,[6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, chloride (8CI); Ethanaminium,N-[6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethyl-, chloride; Pyronine B (6CI);Xanthylium, 3,6-bis(diethylamino)-, chloride (9CI);[6-(Diethylamino)-3H-xanthen-3-ylidene]diethylammonium chloride (7CI); C.I.45010; Pyronin B; Pyronine B(By) |
| EINECS: | 218-429-9 |
| Melting Point: | 174-176 ºC |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 68 |
| Safety: | Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl−, NOx, and NH3. |
| PSA: | 19.39000 |
| LogP: | 1.19980 |
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Chemistry
Molecular Formula: C21H27ClN2O
Molar mass: 358.9049 g/mol
EINECS: 218-429-9
Melting point: 174-176 °C
Storage temp: Store at RT.
Appearance: Dark green crystalline powder or crystals
Product categories of (6-(Diethylamino)-3H-xanthen-3-ylidine)diethylammonium chloride (CAS NO.2150-48-3): Hematology and Histology;Stains and Dyes
Structure of (6-(Diethylamino)-3H-xanthen-3-ylidine)diethylammonium chloride (CAS NO.2150-48-3):
H-Bond Donor: 0
H-Bond Acceptor: 3
IUPAC Name: [6-(Diethylamino)xanthen-3-ylidene]-diethylazanium chloride
Canonical SMILES: CCN(CC)C1=CC2=C(C=C1)C=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-]
InChI: InChI=1S/C21H27N2O.ClH/c1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18;/h9-15H,5-8H2,1-4H3;1H/q+1;/p-1
InChIKey: CXZRDVVUVDYSCQ-UHFFFAOYSA-M
Toxicity Data With Reference
| 1. | sln-dmg-orl 1000 ppm | AMNTA4 American Naturalist. 87 (1953),295. | ||
| 2. | dnd-esc 20 µmol/L | MUREAV Mutation Research. 89 (1981),95. | ||
| 3. | sln-dmg-orl:1000 ppm | AMNTA4 American Naturalist. 87 (1953),295. | ||
| 4. | ipr-mus LD50:15,100 µg/kg | NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program, Bethesda, MD 20205 Jan 86 . |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl−, NOx, and NH3.
Hazard Codes: 
Xn
Risk Statements:
R68:Possible risk of irreversible effects.
Safety Statements:
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S36/37:Wear suitable protective clothing and gloves.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
Specification
(6-(Diethylamino)-3H-xanthen-3-ylidine)diethylammonium chloride ,its cas register number is 2150-48-3. It also can be called Pyronine B ; Xanthylium, 3,6-bis(diethylamino)-, chloride (1:1) ; Ethanaminium, N-[6- (diethylamino)-3H-xanthen-3-ylidene]-N-ethyl-, chloride and Ammonium, [6- (diethylamino)-3H-xanthen-3-ylidene]diethyl-, chloride .