Dibenzpyrenequinone

Dibenzpyrenequinone
Names
	Preferred IUPAC name Dibenzo[c,pqr]tetraphene-7,14-dione
	Other names Vat yellow 4; Golden Yellow GK; Dibenzochrysenedione; Tyrian Yellow I-GOK; C.I. 59100; Dibenzo[b,def]chrysene-7,14-dione; 3,4:8,9-dibenzopyrene-5,10-dione
Identifiers
CAS Number	128-66-5 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:82548;
ChemSpider	29142 ;
ECHA InfoCard	100.004.459
EC Number	204-903-2;
KEGG	C19545 ;
PubChem CID	31412;
UNII	8XO6A4G496;
CompTox Dashboard (EPA)	DTXSID6021454 ;
	InChI InChI=1S/C24H12O2/c25-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)26/h1-12H Key: ZTWQZJLUUZHJGS-UHFFFAOYSA-N ; InChI=1/C24H12O2/c25-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)26/h1-12H Key: ZTWQZJLUUZHJGS-UHFFFAOYAD;
	SMILES O=C2c1ccccc1c6c5c2ccc4c3ccccc3C(=O)c(c45)cc6;
Properties
Chemical formula	C24H12O2
Molar mass	332.358 g·mol−1
Appearance	yellow solid
Density	1.418g/cm3
Melting point	385 °C (725 °F; 658 K)
Boiling point	606.7 °C (1,124.1 °F; 879.9 K) at 760 mmHg
Solubility in water	insoluble
Magnetic susceptibility (χ)	-250.3·10−6 cm3/mol
Hazards
	Occupational safety and health (OHS/OSH):
Main hazards	Possible carcinogen
Flash point	219.93 °C (427.87 °F; 493.08 K)
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Dibenzpyrenequinone is a synthetic vat dye. It is a bright yellow solid.^[1] It can be produced by cyclization of 1,5-dibenzoylnaphthalene. Dibenzpyrenequinone is a precursor to Vat Orange 1.

References

^ Zherebtsov, D. A.; Nayfert, S. A.; Polozov, M. A.; Zhivulin, D. E.; Zhivulin, V. E.; Stash, A. I.; Chen, Yu-Sheng; Merzlov, S. V.; Bartashevich, E. V.; Avdin, V. V.; Hsu, Hua Shu; Guo, Feng Wei; Sakthidharan, C. P. (2018). "The Structure and Properties of 2,3-7,8-Dibenzpyrene-1,6-Quinone". Crystallography Reports. 63 (7): 1110–1115. Bibcode:2018CryRp..63.1110Z. doi:10.1134/s1063774518070283.

[1] Zherebtsov, D. A.; Nayfert, S. A.; Polozov, M. A.; Zhivulin, D. E.; Zhivulin, V. E.; Stash, A. I.; Chen, Yu-Sheng; Merzlov, S. V.; Bartashevich, E. V.; Avdin, V. V.; Hsu, Hua Shu; Guo, Feng Wei; Sakthidharan, C. P. (2018). "The Structure and Properties of 2,3-7,8-Dibenzpyrene-1,6-Quinone". Crystallography Reports. 63 (7): 1110–1115. Bibcode:2018CryRp..63.1110Z. doi:10.1134/s1063774518070283.

[1]

Names

Preferred IUPAC name Dibenzo[c,pqr]tetraphene-7,14-dione
Other names Vat yellow 4 Golden Yellow GK Dibenzochrysenedione Tyrian Yellow I-GOK C.I. 59100 Dibenzo[b,def]chrysene-7,14-dione 3,4:8,9-dibenzopyrene-5,10-dione
Identifiers
CAS Number	128-66-5^N
3D model (JSmol)	Interactive image
ChEBI	CHEBI:82548
ChemSpider	29142^Y
ECHA InfoCard	100.004.459
EC Number	204-903-2
KEGG	C19545^Y
PubChem CID	31412
UNII	8XO6A4G496
CompTox Dashboard (EPA)	DTXSID6021454
InChI InChI=1S/C24H12O2/c25-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)26/h1-12H^Y Key: ZTWQZJLUUZHJGS-UHFFFAOYSA-N^Y InChI=1/C24H12O2/c25-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)26/h1-12H Key: ZTWQZJLUUZHJGS-UHFFFAOYAD
SMILES O=C2c1ccccc1c6c5c2ccc4c3ccccc3C(=O)c(c45)cc6
Properties
Chemical formula	C₂₄H₁₂O₂
Molar mass	332.358 g·mol⁻¹
Appearance	yellow solid
Density	1.418g/cm3
Melting point	385 °C (725 °F; 658 K)
Boiling point	606.7 °C (1,124.1 °F; 879.9 K) at 760 mmHg
Solubility in water	insoluble
Magnetic susceptibility (χ)	-250.3·10⁻⁶ cm³/mol
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Possible carcinogen
Flash point	219.93 °C (427.87 °F; 493.08 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references

Dibenzpyrenequinone

See also

References