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Setoglaucine C.I. No. 42025

CAT: 0286-S02480Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0286-S02480Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3521-06-0
Synonyms
Basic Blue 1; Rhoduline Blue 6G; Brilliant Basic Cyanine; Primocyanine 6GX
UN Code
UN2811
Pictogram
06 - Acute Toxicity
UDF Signal Word
Danger
MDL Number
MFCD00050260
Hazard Statement
H301 Toxic if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation; H400 Very toxic to aquatic life.
DOT Name
Toxic Solids, Organic, N.O.S.
DOT Classification
Class 6.1
Packaging Group
PGIII
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P270 Do not eat, drink, or smoke when using this product; P273 Avoid release to the environment; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Basic Blue 1

RN given refers to chloride salt

CAS Number3521-06-0
PubChem CID107404
IUPAC Name[4-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
Molecular FormulaC23H24Cl2N2
Molecular Weight399.4
Topological Polar Surface Area6.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity557
SMILES
CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3Cl.[Cl-]
InChI
InChI=1S/C23H24ClN2.ClH/c1-25(2)19-13-9-17(10-14-19)23(21-7-5-6-8-22(21)24)18-11-15-20(16-12-18)26(3)4;/h5-16H,1-4H3;1H/q+1;/p-1
InChIKey
GRPFBMKYXAYEJM-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Basic Blue 1
CAS: 3521-06-0
CID: 107404
Formula: C23H24Cl2N2
MW: 399.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass398.1316542
Monoisotopic Mass398.1316542
Topological Polar Surface Area6.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity557
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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