기본 정보
- CAS
17455-25-3- 표준 SMILES
c1ccc2c(c1)OCCOCCOCCOCCOc1ccccc1OCCOCCOCCOCCO2- InChIKey
MXCSCGGRLMRZMF-UHFFFAOYSA-N- 분자식
- C28H40O10
- 평균 분자량
- 536.6 g/mol
- 단동위원소 질량
- 536.26214747
개요
structure
이름 및 식별자
- 우선 이름
- Dibenzo-30-crown-10
- IUPAC
- 2,5,8,11,14,21,24,27,30,33-decaoxatricyclo[32.4.0.015,20]octatriaconta-1(38),15,17,19,34,36-hexaene
- 영어명
- DIBENZO-30-CROWN-10
- 분자식
- C28H40O10
- 분자량
- 536.61
이름 및 동의어
Dibenzo-30-crown-1017455-25-3DTXSID30169851RefChem:132844DTXCID8092342Dibenzo-30-crown 10-Ether6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-Hexadecahydrodibenzo[b,q][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontinedibenzo-30-crown-10-etherdibenzo-30-crownMFCD000546242,5,8,11,14,21,24,27,30,33-decaoxatricyclo[32.4.0.015,20]octatriaconta-1(38),15,17,19,34,36-hexaeneDibenzo[b,q][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontin, 6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-hexadecahydro-
이름 더 보기
Diabenzo-30-crown-10Dibenzo-30-crown-10,98%Dibenzo-30-Crown-10 98%Dibenzo-30-crown10-Ether>2,3,17,18-DIBENZO-1,4,7,10,13,16,19,22,25,28-DECAOXACYCLOTRIACONTA-2,17-DIENEDibenzo-30-crown-10,2,3,17,18-Dibenzo-1,4,7,10,13,16,19,22,25,28-decaoxacyclotriaconta-2,17-diene
2,3,17,18-Dibenzo-1,4,7,10,13,16,19,22,25,28-decaoxacyclotriaconta-2,17-dieneAS-75105T70432Dibenzo(b,q)(1,4,7,10,13,16,19,22,25,28)decaoxacyclotriacontin, 6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-hexadecahydro-SCHEMBL35679CHEMBL155600SCHEMBL29624846Dibenzo-30-crown-10, 98%
데이터베이스 식별자
- CAS
17455-25-3- PubChem CID
- 87120
- DTXSID
DTXSID30169851- ChEMBL
CHEMBL155600- EC Number
- 679-967-1
- Nikkaji
- J3.764.861B、J503.963K
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 92.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 450
실험 및 물리화학적 성질
LogP1.8
물리화학적 성질
- 녹는점
- 106 · 106-108 °C (lit.)
- 끓는 점
- 573.63 °C · 573.63°C (rough estimate)
- 밀도
- 1.1391 · 1.1391 (rough estimate)
- 굴절률
- 1.733 · 1.7330 (estimate)
- 물리적 상태
- 고체
- 색상
- 하얀색
- BRN
- 1632489 · 1632489
- InChI
- InChI=1S/C28H40O10/c1-2-6-26-25(5-1)35-21-17-31-13-9-29-11-15-33-19-23-37-27-7-3-4-8-28(27)38-24-20-34-16-12-30-10-14-32-18-22-36-26/h1-8H,9-24H2
- InChIKey
- MXCSCGGRLMRZMF-UHFFFAOYSA-N
- SMILES
- O1CCOCCOCCOCCOC2=CC=CC=C2OCCOCCOCCOCCOC2=CC=CC=C12
화학적 성질
white crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29329985
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26-36
- 위험 등급
- IRRITANT
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Dibenzo-30-Crown-10 (cas# 17455-25-3) is a useful building block for macromolecules, and has been used in the preparation of rotaxanes and organogels. Dibenzo-30-Crown-10 has also been used in the preparation of mesoporous adsorbents for cesium from wastewater.
공급사48 곳
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