기본 정보
- CAS
23978-55-4- 표준 SMILES
C1COCCOCCNCCOCCOCCN1- InChIKey
NLMDJJTUQPXZFG-UHFFFAOYSA-N- 분자식
- C12H26N2O4
- 평균 분자량
- 262.35 g/mol
- 단동위원소 질량
- 262.18925731
이름 및 식별자
- 우선 이름
- Diaza-18-crown-6
- IUPAC
- 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
- 영어명
- 4,13-Diaza-18-crown 6-ether
- 분자식
- C12H26N2O4
- 분자량
- 262.35
이름 및 동의어
1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane23978-55-4Cryptand 2.2Diaza-18-crown-6Cryptand 221,7,10,16-Tetraoxa-4,13-diazacyclooctadecane7,16-Diaza-18-crown-61,10-Diaza-4,7,13,16-tetraoxacyclooctadecaneXLY51T1RSZNSC-339325DTXSID20178699K22 diaza-crown ether
이름 더 보기
cryptand22cryptand2.2CAS_23978-55-4KRYPTOFIX(R) 22KRYPTOFIX 22 99+%Diaza-18-crown-6,98%KRYPTOFIX 22 POLYMER
RefChem:1285801,4,10,13-tetraoxa-7,16-diaza-cyclooctadecaneDTXCID30101190245-965-0Kryptofix 224,13-Diaza-18-crown 6-Ether4,13-diaza-18-crown-6MFCD00005112
데이터베이스 식별자
- CAS
23978-55-4- PubChem CID
- 72805
- DTXSID
DTXSID20178699- ChEMBL
CHEMBL1812808- ChEBI
CHEBI:230176- UNII
- XLY51T1RSZ
- EC Number
- 245-965-0
- Nikkaji
- J242.710I
물성
구조 계산 물성
- XLogP
- -1.4
- 극성 표면적
- 61 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 138
물리화학적 성질
- 녹는점
- 111 · 111-114 °C(lit.)
- 끓는 점
- 405.6 °C · 405.6°C (rough estimate)
- 밀도
- 1.0807 · 1.0807 (rough estimate)
- 굴절률
- 1.456 · 1.4560 (estimate)
- 저장 조건
- 30 °C · Store below +30°C.
- 물리적 상태
- 반짝이는 결정성 분말
- 산도 계수 (pKa)
- 9 · 9.00±0.20(Predicted)
- 색상
- 회백색
- 수용성
- 물에 용해됩니다.
- BRN
- 609764 · 609764
- InChI
- InChI=1S/C12H26N2O4/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1/h13-14H,1-12H2
- InChIKey
- NLMDJJTUQPXZFG-UHFFFAOYSA-N
- SMILES
- O1CCNCCOCCOCCNCCOCC1
화학적 성질
off-white shiny crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (95.7%)；Eye Irrit. 2A (97.9%)；STOT SE 3 (95.7%)
규제 정보
Regulatory Information1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 2
- rtecs
- HM1650000
- 독성
화학 및 산업
응용 분야
용도1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane is a crown ether, which can be used:In the spectroscopic studies of its complex-forming reaction with iodine.To prepare the ligand 7,16-bis(5-t-butyl-2-hydroxybenzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane.As a ligand in the study of zirconium facilitated hydrolysis of a dipeptide at neutral pH.
공급사100 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
常州沃研化工有限公司0510-83782303 13771177691 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京颖诺凯胜科技有限公司010-56541685 13070143590 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
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