N,N'-(10,15,16,17-テトラヒドロ-5,10,15,17-テトラオキソ-5H-ジナフト[2,3-a:2',3'-i]カルバゾール-4,9-ジイル)ビス(ベンズアミド)

インダントレンブラウンR · C.I.バットブラウン3 · N,N'-(10,15,16,17-テトラヒドロ-5,10,15,17-テトラオキソ-5H-ジナフト[2,3-a:2',3'-i]カルバゾール-4,9-ジイル)ビス(ベンズアミド) · C.I.ピグメントブラウン28 · N,N′-(10,15,16,17-テトラヒドロ-5,10,15,17-テトラオキソ-5H-ジナフト[2,3-a:2′,3′-i]カルバゾール-4,9-ジイル)ビス(ベンズアミド) · N-{24-ベンズアミド-6,13,19,26-テトラオキソ-16-アザヘプタシクロ[15.12.0.02,15.05,14.07,12.018,27.020,25]ノナコサ-1(17),2(15),3,5(14),7,9,11,18(27),20,22,24,28-ドデカエン-4-イル}ベンズアミド · Vatbrown · C.I. 69015

https://huagongshe.com/ja/chemical/8581

N,N'-(10,15,16,17-テトラヒドロ-5,10,15,17-テトラオキソ-5H-ジナフト[2,3-a:2',3'-i]カルバゾール-4,9-ジイル)ビス(ベンズアミド) の分子構造式

識別子と物理属性

CAS No.	131-92-0
分子式	C42H23N3O6
平均分子量	665.6 g/mol
単同位体質量	665.15868546 g/mol
SMILES	O=C(Nc1cccc2c(=O)c3c(ccc4c5cc(NC(=O)c6ccccc6)c6c(=O)c7ccccc7c(=O)c6c5[nH]c43)c(=O)c12)c1ccccc1
InChIKey	AAKMSGQPNUGLAZ-UHFFFAOYSA-N
PubChem CID	8581
EC No.	205-044-6
DTXSID	DTXSID2026282
現地名	N,N'-(10,15,16,17-テトラヒドロ-5,10,15,17-テトラオキソ-5H-ジナフト[2,3-a:2',3'-i]カルバゾール-4,9-ジイル)ビス(ベンズアミド)

化学・物理的性質

XLogP	8.1
極性表面積	142
水素結合供与体数	3
水素結合受容体数	6
回転可能結合数	4
重原子数	51
形式電荷	0
複雑度	1,450
溶解度	less than 1 mg/mL at 66 °F (NTP, 1992)8.337mg/L at 20℃
融点	356 °F (decomposes) (NTP, 1992)
Physical Description	C.i. vat brown 3 is an odorless brown to dark brown powder. (NTP, 1992)Dry Powder
沸点	685.54°C (rough estimate)
密度	1.537
屈折率	1.7800 (estimate)
pKa（酸解離定数）	11.26±0.20(Predicted)
LogP（分配係数）	4.1 at 20℃
EPAの化学物質情報	C.I. Vat Brown 3 (131-92-0)

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 78.9% (15 of 19) of all reports.WarningH317 (21.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 19 reports by companies from 3 notifications to the ECHA C&L Inventory.
規制情報	Chemical: Benzamide, N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)bis-Benzamide, N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzamide, N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)bis- 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)REACH registered substance: N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)bis(benzamide) (EC: 205-044-6)Benzamide, N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)bis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
火災危険	Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
健康有害性	SYMPTOMS: Symptoms of exposure to similar compounds include temporary skin reactions (allergic contact dermatitis).
反応性グループ	Amides and Imides
Reactivity Profile	C.I. VAT BROWN 3 is incompatible with oxidizing and reducing agents. (NTP, 1992).
Air and Water Reactions	Insoluble in water.
Hazard Classes and Categories	Skin Sens. 1 (21.1%)
消火	Fires involving this compound may be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)

用途

一般的な説明

Odorless brown to dark brown powder.

製法・合成法

製造方法

N-(5-chloro-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide and N-(4-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide Condensation in the presence of copper, and then cyclized with sulfuric acid.