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Crystal Violet (C.I. 42555)

CAT: 0862-GA9809-250gSize: 250 gDry Ice: NoHazardous: Yes
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CAT#:0862-GA9809-250gSize:250 g
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CAS Number
548-62-9
EC Number
208-953-6
UN Code
3077
MDL Number
MFCD00011750
HS Code
3204130090
Purity
96.00%
Molecular Formula
C25H30ClN3
Molecular Weight
407.99
Storage Conditions
+20°C
Hazardous Class
True

Chemical Information

Crystal Violet

Gentian Violet can cause cancer according to an independent committee of scientific and health experts.

CAS Number548-62-9
PubChem CID11057
IUPAC Name[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
Molecular FormulaC25H30ClN3
Molecular Weight408.0
Topological Polar Surface Area9.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity542
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
Chemical Structure
2D Structure
2D structure of Crystal Violet
CAS: 548-62-9
CID: 11057
Formula: C25H30ClN3
MW: 408.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass407.2128257
Monoisotopic Mass407.2128257
Topological Polar Surface Area9.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity542
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C26930-01Crystal Violet C.I. No. 42555
90004982-01Crystal violet (C.I. 42555)
RRBD36-XCrystal Violet USP C.I. 42555
290555-01Crystal Violet for Microscopy C.I. No. 42555
1032170 1Crystal violet For microscopy C.I.42555
LC-7034.2Crystal violet (C.I. 42555) p.A.
RRBD7-UCrystal Violet C.I. 42555 Stain Commission Certified
1032180 25Crystal Violet AR/ACS for Microscopy C.I. No. 42555
236978-01Crystal Violet, USP (CI 42555, Gentian Violet)
RRBD3601-2WGentian Violet BP80 C.I.42555

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