C.I.バットオレンジ11:1

Dinaphtho(2,3-i:2',3'-i')benzo(1,2-a:4,5-a')dicarbazole-5,7,12,17,19,24(6H,18H)-hexone

HCID 75113CAS 2172-33-0
部分構造検索類似構造を探す

基本情報

標準SMILES
O=c1c2ccccc2c(=O)c2c1ccc1c3ccc4c(=O)c5c(ccc6c7ccc8c(=O)c9ccccc9c(=O)c8c7[nH]c65)c(=O)c4c3[nH]c12
InChIKey
CVWSULASWLZVCH-UHFFFAOYSA-N
分子式
C42H18N2O6
平均分子量
646.6 g/mol
単同位体質量
646.1164863

名称と識別子

優先名称
Dinaphtho(2,3-i:2',3'-i')benzo(1,2-a:4,5-a')dicarbazole-5,7,12,17,19,24(6H,18H)-hexone
IUPAC
5,27-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.026,42.028,41.029,38.031,36]tetratetraconta-1(25),3(23),4(20),6(19),7(16),9,11,13,17,21,26(42),28(41),29(38),31,33,35,39,43-octadecaene-2,8,15,24,30,37-hexone
現地名
C.I.バットオレンジ11:1
英語名
Vat Orange 11
分子式
C42H18N2O6
分子量
646.6

名称と別名

Vat Orange 112172-33-0Dinaphtho(2,3-i:2',3'-i')benzo(1,2-a:4,5-a')dicarbazole-5,7,12,17,19,24(6H,18H)-hexoneCI Vat orange 11EINECS 218-524-5CCRIS 9495DTXSID8062232Dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24(6H,18H)-hexoneEC 218-524-5Dinaphtho(2,3-i:2',3'-i)benzo(1,2-a:4,5-a')dicarbazole-5,7,12,17,19,24-hexone, 6,18-dihydro-RefChem:134429DTXCID1036543
名称をさらに表示
ジナフト[2,3-i:2',3'-i']ベンゾ[1,2-a:4,5-a']ジカルバゾール-5,7,12,17,19,24(6H,18H)-ヘキサオンバットオレンジ11:1バットオレンジ11バットイエロー3RC.I.バットオレンジ11インダントレンイエロー3Rインダントレンイエロー3RTC.I.バットオレンジ11:1ジナフト[2,3-i:2′,3′-i′]ベンゾ[1,2-a:4,5-a′]ジカルバゾール-5,7,12,17,19,24(6H,18H)-ヘキサオンC.I. 70805Yellow 3RTVATYELLOW3RVat Yellow 3RTC.I.VATORANGE11Vat Orange 11:1Convat Orange AAC.I.Vat Yellow 11Novatic Yellow 3R
6,18-Dihydrodinaphtho[2,3-i:2,3-i]benzo[1,2-a:4,5-a]dicarbazole-5,7,12,17,19,24-hexone5,27-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.026,42.028,41.029,38.031,36]tetratetraconta-1(25),3(23),4(20),6(19),7(16),9,11,13,17,21,26(42),28(41),29(38),31,33,35,39,43-octadecaene-2,8,15,24,30,37-hexoneC.I.Vat Orange 11SCHEMBL3650203SCHEMBL30250198CVWSULASWLZVCH-UHFFFAOYSA-NAKOS032949859NS00001892

データベース識別子

CAS
2172-33-0
PubChem CID
75113
DTXSID
DTXSID8062232
EC Number
218-524-5

物性

構造計算による物性

XLogP
7.7
極性表面積
134 Ų
水素結合供与体数
2
水素結合受容体数
6
回転可能結合数
0
重原子数
50

物理化学的性質

比重(密度)
1.651 · 1.651
酸解離定数(Pka)
11.9 · 11.90±0.20(Predicted)
水溶解度
1 μg/L · 1μg/L at 20℃
EPAの化学物質情報
2 · Dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24(6H,18H)-hexone (2172-33-0)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 68.2% (15 of 22) of all reports.

Warning

H317 (31.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 22 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24-hexone, 6,18-dihydro-

REACH registered substance: 6,18-dihydrodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24-hexone (EC: 218-524-5)

Dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24(6H,18H)-hexone: 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.

Hazard Classes and CategoriesSkin Sens. 1B (31.8%)

安全データ

tsca
TSCA listed

化学と産業

用途と製造

General Manufacturing InformationDinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24(6H,18H)-hexone: ACTIVE

調製方法

製造方法1,5-Diaminoanthraquinoneand 1-Bromoanthracene-9,10-dione or 1-Chloroanthraquinone(2 Moore) condensation, product Potassium hydroxide with Aluminium chloride or cyclization, with Potassium permanganate again or Sodium hypochlorite oxidation.

上流・下流製品情報

サプライヤー40 社

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]

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