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(29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper structure
(29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper structure

(29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper

CAS No.:147-14-8
Molecular Weight:578.08492
Introduction: In inks and paints. In polypropylene sutures.
1. Names and Identifiers
1.1 Name
(29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper
1.2 Synonyms

(29H,31H-phthaL C.I. 74160 calcotonebluegp ceresbluebhr chromatexbluebn Copper(II) Phthalocyanine Copper(II) Phthalocyanine (purified by sublimation) Copper, [29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (SP-4-1)- Copper, [phthalocyaninato(2-)]- CuPc CuPc (&alpha CuPc (&beta CuPc (purified by sublimation) -form) ocyaninato(2-)-N29,N30,N31,N32)copper Phthalocyanine Blue Phthalocyanine Blue (purified by sublimation) phthalocyanine blueB15:0 Phthalocyanine Copper(II) (&alpha Phthalocyanine Copper(II) (&beta Pigment Blue 15 Pigment Blue 15 (purified by sublimation)

1.3 CAS No.
147-14-8
1.4 CID
24182369
1.5 EINECS(EC#)
205-685-1
1.6 Molecular Formula
C32H18CuN8 (isomer)
1.7 Inchi
InChI=1S/C32H18N8.Cu/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;/h1-5,8-16H,6-7H2;/q-4;
1.8 InChkey
WXODFJNVCIDQAW-UHFFFAOYSA-N
1.9 Canonical Smiles
C1C=CC2=C3[N-]C4=C5C=CC=CC5=C([N-]4)[N-]C6=NC(=NC7=NC(=C8C7=CCC=C8)N=C(C2=C1)[N-]3)C9=CC=CC=C96.[Cu]
1.10 Isomers Smiles
C1C=CC2=C3[N-]C4=C5C=CC=CC5=C([N-]4)[N-]C6=NC(=NC7=NC(=C8C7=CCC=C8)N=C(C2=C1)[N-]3)C9=CC=CC=C96.[Cu]
2. Properties
3.1 Melting Point
600℃ (dec.)
3.2 Appearance
blue powder
3.3 Chemical Properties
dark blue fine crystalline powder
3.4 Color/Form
Dark blue
3.5 Stability
Stable under normal temperatures and pressures.
3.6 StorageTemp
Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.
3.7 Water Solubility
<0.1 g/100 mL at 20 °C in water
3.8 Λmax
602nm(CHCl3)(lit.)
3. Use and Manufacturing
4.1 Purification Methods
Precipitate it twice from conc H2SO4 by slow dilution with water. It has also been purified by two or three sublimations at 580o in an argon flow at 300-400Pa. [Beilstein 26 III/IV 4256.] (29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper Preparation Products And Raw materials Preparation Products
4.2 Storage
Ambient temperatures.
4.3 Usage
In inks and paints. In polypropylene sutures.
4. Safety and Handling
5.1 Hazard Codes
Xi; Xn
5.2 Safety Statements
S24/25
5.3 Transport
ADD
5.4 Safety

Safety Statements: 22-24/25?
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.
RTECS: GL8510000
TSCA: Yes
Low toxicity by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic vapors of NOx and Cu.

5.5 Specification

?Copper phthalocyanine (CAS NO.147-14-8) is also named as AI3-26192 ; Accosperse Cyan Blue GT ; Aqualine Blue ; Arlocyanine Blue PS ; Bahama Blue BC ; Bahama Blue BNC ; Bahama Blue Lake NCNF ; Bahama Blue WD ; Bermuda Blue ; Blue GLA ; Blue Toner GTNF ; Blue pigment ; C.I. 74160 l C.I. Ingrain Blue 2 ; CI Ingrain Blue 2 ; CI Pigment Blue 15 ; Copper Phthaloycanine Blue ; Copper phthalocyanin ; Copper tetrabenzoporphyrazine ; Copper(2+) phthalocyanine ; Copper(II) phthalocyanine ; Copper, (29H,31H-phthalocyaninato(2-)- ; Cromophtal Blue 4GN ; Cromophtal Blue GF ; Cyan Blue BNC 55-3745 ; Cyan Blue BNF 55-3753 ; Cyan Blue GT ; Cyan Blue GT 55-3295 ; Cyan Blue GT 55-3300 ; Cyan Blue GTNF ; Cyan Blue Toner GT 3000 ; Cyan Blue XR 55-3758 ; Cyanine Blue HB ; Cyanine Blue LBG ; Cyanine Blue Rnf ; Dainichi Cyanine Blue B ; Fastogen Blue BS ; Fastogen Blue BSF ; Graphtol Blue BL ; Graphtol Blue BLF ; HSDB 2925 ; Helio Blue B ; Helio Fast Blue B ; Heliogen Blue BWS ; Isol Phthalo Blue BT ; Isol Phthalo Blue CBG ; Isol Phthalo Blue E 7543 ; Monarch Blue NCNF X-2658 ; Monarch Blue Toner NC X-2371 ; Monarch Blue Toner NCNF X-2810 ; Monarch Blue Toner X-2303 ; Monarch Blue Toner X-2763 ; NSC 15976 ; UNII-3VEX9T7UT5?.?Copper phthalocyanine (CAS NO.147-14-8) has the appearance of a blue powder, insoluble in water and most solvents.

5.6 Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD intraperitoneal > 3gm/kg (3000mg/kg) KIDNEY, URETER, AND BLADDER: URINE VOLUME DECREASED

KIDNEY, URETER, AND BLADDER: PROTEINURIS
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(1), Pg. 92, 1985.
rat LD oral > 15gm/kg (15000mg/kg) ? Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(1), Pg. 92, 1985.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

9. Computational chemical data
  • Molecular Weight:578.08492g/mol
  • Molecular Formula:C32H18CuN8
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:577.095040
  • Monoisotopic Mass:577.095040
  • Complexity:1490
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:53.4
  • Heavy Atom Count:41
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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