Nickel phthalocyanine 95%

CAT: 0286-N05035-01Size: 5 gDry Ice: NoHazardous: No

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CAS Number

14055-02-8

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00041954

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.

DOT Name

Not D.O.T.-Regulated

Precautions

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

Nickel phthalocyanine

CAS Number	14055-02-8
PubChem CID	73295
IUPAC Name	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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;nickel(2+)
Molecular Formula	C32H16N8Ni
Molecular Weight	571.2
Topological Polar Surface Area	79.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Heavy Atom Count	41
Formal Charge	0
Complexity	709

SMILES

C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Ni+2]

InChI

InChI=1S/C32H16N8.Ni/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2

InChIKey

LVIYYTJTOKJJOC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14055-02-8

CID: 73295

Formula: C32H16N8Ni

MW: 571.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	571.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Exact Mass	570.085134
Monoisotopic Mass	570.085134
Topological Polar Surface Area	79.3 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	709
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Nickel phthalocyanine 95%

Chemical Information

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