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
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=c1c2ccccc2c(=O)c2c1ccc1c3ccc4c(=O)c5c(ccc6c7ccc8c(=O)c9ccccc9c(=O)c8c7[nH]c65)c(=O)c4c3[nH]c12
InChIKey
CVWSULASWLZVCH-UHFFFAOYSA-N
분자식
C42H18N2O6
평균 분자량
646.6 g/mol
단동위원소 질량
646.1164863

이름 및 식별자

우선 이름
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
영어명
Vat Orange 11
분자식
C42H18N2O6
분자량
646.6

이름 및 동의어

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
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
7.7
극성 표면적
134 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
0
무거운 원자 수
50

물리화학적 성질

밀도
1.651 · 1.651
산도 계수 (pKa)
11.9 · 11.90±0.20(Predicted)
수용성
1 μg/L · 1μg/L at 20℃
EPA
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)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 3건

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%)

안전 데이터

tsca
TSCA listed
기존화학 물질
KE-08834

화학 및 산업

용도 및 제조

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

제조 방법

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.

상·하류 제품 정보

공급사40 곳

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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