기본 정보
- CAS
83847-14-7- 표준 SMILES
C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1- InChIKey
LNEDNZUQKOGNLJ-UHFFFAOYSA-N- 분자식
- C23H23NO5
- 평균 분자량
- 393.4 g/mol
- 단동위원소 질량
- 393.15762283
개요
See other relationships...
이름 및 식별자
- 우선 이름
- 4-Cyanophenyl-4-(6-(acryloyloxy)hexyloxy)benzoate
- IUPAC
- (4-cyanophenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate
- 현지명
- 4-(6-아크릴로일옥시헥실옥시)-벤조수르(4-시아노페닐에스테르)
- 영어명
- 4-(6-Acryloyloxyhexyloxy)-benzoesure (4-cyanophenylester)
- 분자식
- C23H23NO5
- 분자량
- 393.43
이름 및 동의어
DTXSID2010193754-cyanophenyl-4-(6-(acryloyloxy)hexyloxy)benzoateRefChem:1070551DTXCID00147735183847-14-74-cyanophenyl 4-((6-(acryloyloxy)hexyl)oxy)benzoateMFCD23098829(4-cyanophenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate4-Cyanophenyl 4-[6-(acryloyloxy)hexyloxy]benzoate4-cyanophenyl 4-{[6-(acryloyloxy)hexyl]oxy}benzoate4-(trans-4-pentylcyclohexyl)phenyl acrylateE75680
이름 더 보기
4-(6-아크릴로일옥시헥실옥시)-벤조수르(4-시아노페닐에스테르)RM23VE6OPEPN4-Cyanophenol 4-(6-acryloyloxyhexyloxy)benzoate4-Cyanophenyl 4'-(6-acryloyloxyhexyloxy)benzoate6-[4-(4-Cyanophenoxycarbonyl)phenoxy]hexyl acrylate4[4[6-Acryloxyhex-1-yl)oxyphenyl]carboxy-benzonitrile4-Cyanophenyl 4-[[6-[(1-oxo-allyloxy)]hexyl]oxy]benzoate4-(6-acryloyloxyhexyloxy)-benzoic acid (4-cyanophenyl ester)
Benzoic acid, 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]-, 4-cyanophenyl ester4-Cyanophenyl 4-[[6-(Acryloyloxy)hexyl]oxy]benzoatebenzoic acid, 4-[[6-[(1-oxo-2-propenyl)oxy]hexyl]oxy]-, 4-cyanophenyl ester4-(6-Acryloyloxyhexyloxy)-benzoesure (4-cyanophenylester)starbld0022915SCHEMBL1961800LNEDNZUQKOGNLJ-UHFFFAOYSA-NBenzoic acid, 4-[[6-[(1-oxo-2-propenyl)oxy]hexyl]oxy]-, 4-cyanophenylester
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 85.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 565
실험 및 물리화학적 성질
SpringerMaterials PropertiesChemical structure
물리화학적 성질
- 끓는 점
- 563.1 · 563.1±45.0 °C(Predicted)
- 밀도
- 1.19 · 1.19
- 증기압
- 0 · 0-0Pa at 25-50℃
- 저장 조건
- 2 · 2-8°C, stored under nitrogen
- 물리적 상태
- Solid:crystalline
- InChI
- InChI=1S/C23H23NO5/c1-2-22(25)28-16-6-4-3-5-15-27-20-13-9-19(10-14-20)23(26)29-21-11-7-18(17-24)8-12-21/h2,7-14H,1,3-6,15-16H2
- InChIKey
- LNEDNZUQKOGNLJ-UHFFFAOYSA-N
- SMILES
- C(OC1=CC=C(C#N)C=C1)(=O)C1=CC=C(OCCCCCCOC(=O)C=C)C=C1
- LogP
- 4.5 at · 4.5 at 40℃ and pH7
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, 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 Sens. 1 (100%)
안전 데이터
- 기존화학 물질
- 2009-3-3973
화학 및 산업
응용 분야
용도4-(6-Acryloyloxyhexyloxy)-benzoesure (4-cyanophenylester) can be used as an intermediate in organic synthesis, mainly used in laboratory research and development and in the process of chemical and pharmaceutical synthesis.
상·하류 제품 정보
상류 원료
공급사79 곳
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