6,7,9,10,17,18,20,21-옥타히드로디벤조(베타,카파)(1,4,7,10,13,16) 헥사옥사시클로옥타디신

Dibenzo-18-crown-6

HCID 26541CAS 14187-32-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2
InChIKey
YSSSPARMOAYJTE-UHFFFAOYSA-N
분자식
C20H24O6
평균 분자량
360.4 g/mol
단동위원소 질량
360.15728849

개요

Dibenzo-18-crown-6 is a crown ether that is 18-crown-6 ortho-fused to two benzene rings at positions 8-9 and 17-18. It has a role as a phase-transfer catalyst. It is a member of benzenes and a crown ether.

이름 및 식별자

우선 이름
Dibenzo-18-crown-6
IUPAC
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
현지명
6,7,9,10,17,18,20,21-옥타히드로디벤조(베타,카파)(1,4,7,10,13,16) 헥사옥사시클로옥타디신
영어명
Dibenzo-18-crown-6
분자식
C20H24O6
분자량
360.4

이름 및 동의어

DIBENZO-18-CROWN-614187-32-7Dibenzo-18-crown-6-etherCrown 18Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro-2,3:11,12-Dibenzo-1,4,7,10,13,16-hexaoxacyclooctadecane0A7W45JCS9Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecane2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaeneNSC-147771Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecaneDTXSID6022428
이름 더 보기
6,7,9,10,17,18,20,21-옥타히드로디벤조(베타,카파)(1,4,7,10,13,16)헥사옥사사이클로옥타덴느6,7,9,10,17,18,20,21-옥타히드로디벤조(베타,카파)(1,4,7,10,13,16)헥사옥사시클로옥타디신6,7,9,10,17,18,20,21-옥타히드로디벤조(베타,카파)(1,4,7,10,13,16)헥사옥사사이클로...DB18C6ibenzo-18-crown-66,7,9,10,12,13,15,16-Octahydrodibenzo[b,e][1,4,7,10,13,16]hexaoxacyclooctadecinecrown18crown-18DibenzocrownDibenzo-18-crown-8
CHEBI:358732Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro-2,5,8,15,18,21-hexaoxatricyclo(20.4.0.09,14)hexacosa-1(26),9,11,13,22,24-hexaeneRefChem:132840DTXCID802428238-041-36,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecineMFCD00005098

데이터베이스 식별자

CAS
14187-32-7
PubChem CID
26541
DTXSID
DTXSID6022428
ChEMBL
CHEMBL345536
ChEBI
CHEBI:358732
UNII
0A7W45JCS9
EC Number
238-041-3
Nikkaji
J14.747H

물성

구조 계산 물성

XLogP
2.2
극성 표면적
55.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
0
무거운 원자 수
26

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Other Organic Compounds
SpringerMaterials PropertiesFusion temperature
LogP2.2
Physical DescriptionLight beige fibers or powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
162 · 162-164 °C (lit.)
끓는 점
380 · 380-384 °C (679 mmHg)
밀도
1.1801 · 1.1801 (rough estimate)
굴절률
1.52 · 1.5200 (estimate)
인화점
380 · 380-384°C/679mm
저장 조건
30 °C · Store below +30°C.

화학적 성질

white to slightly beige fluffy powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (35.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro-

Dibenzob,k1,4,7,10,13,16hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

A mild skin and moderate eye irritant; Causes convulsions, lung changes and other liver changes in oral lethal-dose studies of rats; [RTECS] Crown ethers have caused convulsions, liver injury, and dermatitis in experimental animals; A skin and strong eye irritant; [Alfa Aesar MSDS] See 18-Crown-6.

Hazard Classes and CategoriesSkin Irrit. 2 (35.9%)

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
HP5386000
독성
LD50 orally in Rabbit: 2600 mg/kg
HS 번호
29329995
risk_code
36-36/37/38-20/21/22

화학 및 산업

용도 및 제조

General Manufacturing InformationDibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro-: ACTIVE
응용 분야 · 2건

개요Dibenzo-18-crown-6 (DB18C6) is the first crown ether synthesized by Pedersen in 1967 and has the strongest binding affinity to a potassium cation (K+) among alkali metal cations. With the similarity of the sizes between K+ and the cavity of crown ether, it had long been believed that the binding selectivity comes from the size relationship between the metal cation and the cavity. However, it was reported that under identical experimental conditions, K+ bound strongly to all crown ethers (12-crown-4 to 24-crown-8) irrespective of the ring size among other cations such as Na+, Ca2+, and NH4+. Moreover, in the gas phase, 18-crown-6 (18C6) and dibenzo18-crown-6 (DB18C6) form preferential complexation in the order Li+ > Na+ > K+ > Rb+ > Cs+, while in the aqueous solution both of them show highest complexion capacity for K+ rather than Li+[1-2].

용도Dibenzo-18-crown-6, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is an important organic intermediate.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

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