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Ni(II) octabutoxynaphthalocyanine

Ni(II) octabutoxynaphthalocyanine structure

CAS No:
155773-70-9
Formula:
C80H88N8NiO8
Chemical Name:
Ni(II) octabutoxynaphthalocyanine
Synonyms:
2-(methylimino-methyl)-phenol,nickel (II)-salt; Ni(5,9,14,18,23,27,32,36-octabutoxynaphthalocyanine(2-)); 2-(Methylimino-methyl)-phenol,Nickel(II)-Salz; Ni(5,9,14,18,23,27,32,36-octabutoxy-2,3-naphthalocyanine); bis-N-Methyl-salicylald-iminat-Ni(II); Ni(2-methyliminomethylphenolate)2;Expand

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Ni(II) octabutoxynaphthalocyanine Basic Attributes

Molecular Weight：

1348.30000

Exact Mass：

1346.607853

DSSTox ID：

DTXSID00746577

Characteristics

PSA：

160.89000

XLogP3：

16.05640

Melting Point：

>300ºC(lit.)

Safety Information

hazard class code：

R49; R43

safety instructions：

53-36/37/39-45

Marks：

Precautionary statement(s)：

P261; P284; P304 + P340; P342 + P311

Hazard Statements：

H334

GHS Classification：

|Danger|H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]|P261, P285, P304+P341, P342+P311, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:1348.3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:32
Exact Mass:1346.607853
Monoisotopic Mass:1346.607853
Topological Polar Surface Area:150
Heavy Atom Count:97
Complexity:2330
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of Ni(II) octabutoxynaphthalocyanine

Basic Attributes
Characteristics
Safety Information
Computed Properties

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