-
Name
tetradecachloro-29H,31H-phthalocyanine
- EINECS 304-265-6
- CAS No. 94247-95-7
- Density 2.17 g/cm3
- Solubility
- Melting Point
- Formula C32H4Cl14N8
- Boiling Point
- Molecular Weight 994.7539
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Tetradecachloro-29H,31H-phthalocyanine
- PSA
- LogP
29H,31H-Phthalocyanine,tetradecachloro- (9CI) Specification
The 29H,31H-Phthalocyanine,tetradecachloro- (9CI), with the CAS registry number 94247-95-7, is also known as Tetradecachloro-29H,31H-phthalocyanine. Its EINECS registry number is 304-265-6. This chemical's molecular formula is C32H4Cl14N8 and molecular weight is 994.7539.
Physical properties of 29H,31H-Phthalocyanine,tetradecachloro- (9CI): (1)ACD/LogP: 9.47; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.46; (4)ACD/LogD (pH 7.4): 9.46; (5)#H bond acceptors: 8; (6)Index of Refraction: 1.919; (7)Molar Refractivity: 215.92 cm3; (8)Molar Volume: 457.2 cm3; (9)Surface Tension: 77.9 dyne/cm; (10)Density: 2.17 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc3c(c1Cl)C2=NC9=NC(=NC7=NC(=NC4=NC(=NC3=N2)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)c6c(Cl)c(Cl)c(Cl)c(Cl)c67)c8c9c(Cl)c(Cl)c(Cl)c8Cl
(2)InChI: InChI=1/C32H2Cl14N8/c33-4-2-1-3-5(12(4)34)26-47-25(3)48-27-6-7(14(36)20(42)19(41)13(6)35)29(50-27)52-31-10-11(18(40)24(46)23(45)17(10)39)32(54-31)53-30-9-8(28(49-26)51-30)15(37)21(43)22(44)16(9)38/h1-2H/b48-25-,48-27u,49-26u,49-28-,52-29-,52-31u,53-30u,53-32-
(3)InChIKey: QKGPRRJCMULPLQ-NMVVYADYBP
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