Phthalocyanine

HCID 86280045

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기본 정보

CAS: 574-93-6
표준 SMILES: c1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21
InChIKey: IEQIEDJGQAUEQZ-UHFFFAOYSA-N
분자식: C32H18N8
평균 분자량: 514.5 g/mol
단동위원소 질량: 514.16544258

개요

Phthalocyanine is a tetrapyrrole fundamental parent that consists of four isoindole-type units, with the connecting carbon atoms in the macrocycle replaced by nitrogen. It is a tetrapyrrole fundamental parent and a member of phthalocyanines.

이름 및 식별자

우선 이름: Phthalocyanine
IUPAC: 2,11,20,29,37,38,39,40-octazanonacyclo[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

이름 및 동의어

PHTHALOCYANINE574-93-629H,31H-PhthalocyanineLionol Blue KWHeliogen Blue 7560Heliogen Blue GIrgazin Blue 3GTMonolite Fast Blue GSHeliogen Blue 7800Tetrabenzo(b,g,l,q)porphyrazineV5PUF4VLGYCI 74100

이름 더 보기

DTXSID9025906CHEBI:349215,28:14,19-Diimino-7,12:26,21-dinitrilotetrabenzo(c,h,m,r)(1,6,11,16)tetraazacycloeicosineRefChem:863050DTXCID705906209-378-3Phthalocyaninftalocianina

데이터베이스 식별자

CAS: 574-93-6
PubChem CID: 86280045
DTXSID: DTXSID9025906
ChEMBL: CHEMBL262101
ChEBI: CHEBI:34921
UNII: V5PUF4VLGY
EC Number: 209-378-3
Nikkaji: J34.511C

물성

구조 계산 물성보충 중

XLogP: 6.4
극성 표면적: 109 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 0
무거운 원자 수: 40
형식 전하: 0
복잡도: 777

실험 및 물리화학적 성질

Chemical ClassesDyes -> Phthalocyanine Dyes

CosmeticsCosmetic colorant

Physical Description · 2건

CBI

Metal-free phthalocyanine: Blue-green color; [Hawley] Black, dark blue, or purple odorless crystalline solid; [MSDSonline]

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 96.8% (121 of 125) of all reports.

Not Classified

Aggregated GHS information provided per 125 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: 29H,31H-Phthalocyanine

29H,31H-Phthalocyanine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 29H,31H-Phthalocyanine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 23-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/10479

Phthalocyanine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; [MSDSonline]

Hazard Classes and CategoriesNot Classified

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationDrugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells.

용도 및 제조

Uses · 2건

Used for decorative enamels, automotive finishes, and other applications needing chemical stability and light-fastness; [Hawley] Used to stain single nerve fibers of Soviet crabs; [HSDB]

Painting (Pigments, Binders, and Biocides) [Category: Paint]

U.S. Production2023: 75,000 - <500,000 lb

Consumer UsesPigment

Industry UsesPigment

Use ClassificationCosmetics -> Cosmetic colorant

General Manufacturing Information · 3건

Paint and Coating Manufacturing

29H,31H-Phthalocyanine: ACTIVE

PHTHALOCYANINE IS USED TO STAIN SINGLE NERVE FIBERS FROM SOVIET CRABS.