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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 12:58, 15 February 2012 (Saving copy of the {{chembox}} taken from revid 475247487 of page Crystal_violet for the Chem/Drugbox validation project (updated: 'DrugBank').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 12:58, 15 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 475247487 of page Crystal_violet for the Chem/Drugbox validation project (updated: 'DrugBank').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 475247487 of page Crystal_violet with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Kekulé, skeletal formula of a crystal violet minor tautomer
Kekulé, skeletal formula of a crystal violet minor tautomer
Names
IUPAC name Tris(4-(dimethylamino)phenyl)methylium chloride
Other names Aniline violet

Basic violet 3
Baszol Violet 57L
Brilliant Violet 58
Hexamethyl-p-rosaniline chloride
Methylrosanilide chloride
Methyl Violet 10B
Methyl Violet 10BNS

Pyoktanin
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 3580948
ChEMBL
ChemSpider
EC Number
  • 208-953-6
KEGG
MeSH Gentian+violet
PubChem CID
RTECS number
  • BO9000000
UNII
UN number 3077
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-1Key: ZXJXZNDDNMQXFV-UHFFFAOYSA-M
  • InChI=1/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-1Key: ZXJXZNDDNMQXFV-REWHXWOFAV
SMILES
  • .CN(C)c1ccc(cc1)(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
  • .CN(C)C1=CC=C(C=C1)(C1=CC=C(C=C1)N(C)C)C1=CC=C(C=C1)N(C)C
Properties
Chemical formula C
25N
3H
30Cl
Molar mass 407.979 g mol
Melting point 205 °C (401 °F; 478 K)
Hazards
GHS labelling:
Pictograms GHS05: Corrosive GHS07: Exclamation mark GHS08: Health hazard GHS09: Environmental hazard
Signal word Danger
Hazard statements H302, H318, H351, H410
Precautionary statements P273, P280, P305+P351+P338, P501
Lethal dose or concentration (LD, LC):
LD50 (median dose) 1.2 g/kg (oral, mice)

1.0 g/kg (oral, rats)

Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. Hodge, H.C.; Indra, J.; Drobeck, H.P.; Duprey, L.P.; Tainter, M.L. (1972), "Acute oral toxicity of methylrosaniline chloride", Toxicology and Applied Pharmacology, 22 (1): 1–5, doi:10.1016/0041-008X(72)90219-0, PMID 5034986
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