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Solvent blue 38

CAT: 0286-S07810-03Size: 500 gDry Ice: NoHazardous: No
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CAT#:0286-S07810-03Size:500 g
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CAS Number
1328-51-4
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00071424
Hazard Statement
H302 Harmful 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.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; 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

Cuprate(2-), (29H,31H-phthalocyanine-C,C-disulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32)-, sodium (1:2)

See also: disulfo copper phthalocyanine amine salt (annotation moved to).

CAS Number1328-51-4
PubChem CID92030797
IUPAC Namecopper;disodium;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-5,17-disulfonate
Molecular FormulaC32H14CuN8Na2O6S2
Molecular Weight780.2
Topological Polar Surface Area211
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count0
Heavy Atom Count51
Formal Charge0
Complexity1300
SMILES
C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C(=C([N-]5)N=C7C8=C(C(=CC=C8)S(=O)(=O)[O-])C(=N7)N=C2[N-]3)C=CC=C6S(=O)(=O)[O-])C9=CC=CC=C94.[Na+].[Na+].[Cu+2]
InChI
InChI=1S/C32H16N8O6S2.Cu.2Na/c41-47(42,43)21-13-5-11-19-23(21)31-37-27-17-9-3-1-7-15(17)25(34-27)33-26-16-8-2-4-10-18(16)28(35-26)38-32-24-20(30(40-32)36-29(19)39-31)12-6-14-22(24)48(44,45)46;;;/h1-14H,(H2-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46);;;/q-2;+2;2*+1/p-2
InChIKey
DKBXPLYSDKSFEQ-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Cuprate(2-), (29H,31H-phthalocyanine-C,C-disulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32)-, sodium (1:2)
CAS: 1328-51-4
CID: 92030797
Formula: C32H14CuN8Na2O6S2
MW: 780.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight780.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count0
Exact Mass778.956908
Monoisotopic Mass778.956908
Topological Polar Surface Area211 Ų
Heavy Atom Count51
Formal Charge0
Complexity1300
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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