Basic information
- CAS
14055-02-8- Standard SMILES
[Ni+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21- InChIKey
LVIYYTJTOKJJOC-UHFFFAOYSA-N- Molecular formula
- C32H16N8Ni
- Average molar mass
- 571.2 g/mol
- Monoisotopic mass
- 570.085134
Names & identifiers
- Preferred name
- Nickel phthalocyanine
- IUPAC
- 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+)
- English name
- NICKEL PHTHALOCYANINE
- Molecular formula
- C32H16N8Ni
- Molecular weight
- 571.22
Names & synonyms
Nickel phthalocyanine14055-02-8Nickel(II) phthalocyanineNickel phthalocyanine blue2,1-Phthalocyaninato nickel(Phthalocyaninato(2-))nickelEINECS 237-893-3Nickel, [29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-4-1)-Phthalocyaninatonickel (II)DTXSID401014783Nickel, (phthalocyaninato(2-))-Nickel, (29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-
Show more names
NiPcPHTHALOCYANINE, NIPhthalocyanine nickel(II)Nickel phthalocyanine,95%2,1-Phthalocyaninatonickel
Nickel, (29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32)-, (SP-4-1)-Nickel, (29H,31H-phthalocyaninato(2-)-N(29),N(30),N(31),N(32)-), (SP-4-1)-Nickel, (29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)-, (SP-4-1)-Nickel, [29H,31H-phthalocyaninato(2-)-N(29),N(30),N(31),N(32)-], (SP-4-1)-RefChem:165676DTXCID501377869Nickel, (phthalocyaninato(2-))-(8CI)Nickel, (29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)-, (SP-4-1)-(9CI)
Properties
Computed structural properties
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 709
Experimental & physicochemical properties
Chemical ClassesDyes -> Phthalocyanine Dyes
Physical DescriptionDark blue powder; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 300 °C · >300°C
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- form
- Crystalline Powder
- color
- Very dark blue
- λmax
- 670 nm · 670 nm
- Exposure limits
- 10 mg/m3; · NIOSH: IDLH 10 mg/m3; TWA 0.015 mg/m3
- InChIKey
- LVIYYTJTOKJJOC-UHFFFAOYSA-N
- SMILES
- N12[Ni]N3C4N=C5C6C=CC=CC=6C(=N5)N=C1C1C=CC=CC=1C2=NC1=NC(C2C=CC=CC1=2)=NC3=C1C=4C=CC=C1 |c:16,27,39,t:4|
- REACH Annex XVII Substances List
- 29 H,31H-phthalocyaninato · [29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]nickel (14055-02-8)
- EPA Substance Registry System
- 29 H,31H-phthalocyaninato · Nickel, [29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-4-1)- (14055-02-8)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationRestricted substance: [29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]nickel
Hazards SummaryMay cause skin sensitization; Possible carcinogen; [Acros Organics MSDS] See Nickel and linked occupational diseases.
Hazard Classes and CategoriesAcute Tox. 4 (90.7%)
Safety & protection
Permissible Exposure Limit (PEL)1.0 [mg/m3], as Ni
Toxicology
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Safety data
- PPE
- Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNickel, [29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-4-1)-: ACTIVE
Suppliers60 total
上海源象化学有限公司17312431727 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
吉林奥来德光电材料股份有限公司0431-85877181 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
吉林中科研伸科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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