Phenyl[({[(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldecan-2-yl)oxy]carbonyl}oxy)imino]acetonitrile
기본 정보
- CAS
892154-76-6- 표준 SMILES
CC(C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)ON=C(C#N)c1ccccc1- InChIKey
FYLRWWRMJXHQNS-UHFFFAOYSA-N- 분자식
- C20H15F13N2O3
- 평균 분자량
- 578.3 g/mol
- 단동위원소 질량
- 578.0875085
이름 및 식별자
- 우선 이름
- Phenyl[({[(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldecan-2-yl)oxy]carbonyl}oxy)imino]acetonitrile
- IUPAC
- [[cyano(phenyl)methylidene]amino] (5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldecan-2-yl) carbonate
- 영어명
- 2-[2-(1H,1H,2H,2H-Perfluorooctyl)isopropoxycarbonyloxyimino]-2-phenylacetonitrile
- 분자식
- C20H15F13N2O3
- 분자량
- 578.32
이름 및 동의어
892154-76-6[[cyano(phenyl)methylidene]amino] (5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldecan-2-yl) carbonate2-[(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1,1-dimethylnonyloxy) carbonyloxyimino]-2-phenylacetonitrilePhenyl[({[(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldecan-2-yl)oxy]carbonyl}oxy)imino]acetonitrileDTXSID807245952-[2-(1H,1H,2H,2H-Perfluorooctyl)isopropoxycarbonyloxyimino]-2-phenylacetonitrile2-[(1,1-DIMETHYL-1H,1H,2H,2H,3H,3H-PERFLUORONONYLOXY)CARBONYLOXYIMINO]-2-PHENYLACETONITRILECarbonic acid, (cyanophenylmethylene)azanyl 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1,1-dimethylnonyl ester2-[2-(1H,1H,2H,2H-Perfluorooctyl)isopropoxycarbonyloxyimino]-2-phenylacetonitrile, 2-[(1,1-Dimethyl-1H,1H,2H,2H,3H,3H-perfluorononyloxy)carbonyloxyimino]-2-phenylacetonitrile
데이터베이스 식별자
- CAS
892154-76-6- PubChem CID
- 57370040
- DTXSID
DTXSID80724595- EC Number
- 693-620-1
물성
구조 계산 물성
- XLogP
- 8.1
- 극성 표면적
- 71.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 930
물리화학적 성질
- 끓는 점
- 399.3 · 399.3±52.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 물리적 상태
- solid
- InChI
- 1S/C20H15F13N2O3/c1-14(2,37-13(36)38-35-12(10-34)11-6-4-3-5-7-11)8-9-15(21,22)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33/h3-7H,8-9H2,1-2H3/b35-12-
- InChIKey
- FYLRWWRMJXHQNS-OHLKXVFMSA-N
- SMILES
- CC(C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)O\N=C(\C#N)c1ccccc1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 36/37
- F 고인화성물질
- 10
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
관련 반응
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