기본 정보
- CAS
69804-19-9- 표준 SMILES
N#CC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F- InChIKey
LYIPDZSLYLDLCU-UHFFFAOYSA-N- 분자식
- C8F13NO2
- 평균 분자량
- 389.07 g/mol
- 단동위원소 질량
- 388.9721443
이름 및 식별자
- 우선 이름
- Propanenitrile, 3-(1-(difluoro((1,2,2-trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,2,3,3-tetrafluoro-
- IUPAC
- 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropanenitrile
- 현지명
- 3-[1-[디플루오로[(트리플루오로비닐)옥시]메틸]-1,2,2,2-테트라플루오로에톡시]-2,2,3,3-테트라플루오로프로피오노니트릴
- 영어명
- 3-[1-[difluoro[(trifluorovinyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropiononitrile
- 분자식
- C8F13NO2
- 분자량
- 389.07
이름 및 동의어
3-(1-(Difluoro((trifluorovinyl)oxy)methyl)tetrafluoroethoxy)tetrafluoropropionitrileEINECS 274-123-53-[1-[Difluoro[(trifluorovinyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropiononitrilePropanenitrile, 3-(1-(difluoro((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,2,3,3-tetrafluoro-Propanenitrile, 3-(1-(difluoro((1,2,2-trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,2,3,3-tetrafluoro-3-(1-(Difluoro((trifluorovinyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,2,3,3-tetrafluoropropiononitrile3-[1-[Difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanenitrilePropanenitrile, 3-[1-[difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoro-Propanenitrile, 3-[1-[difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoro-3-(1-(Difluoro((1,2,2-trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,2,3,3-tetrafluoropropanenitrileRefChem:869075
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 42.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 554
실험 및 물리화학적 성질
PFAS
PFAS -> Other/unspecified
PFAS -> Intentionally added food contact chemicals
PFAS -> OECD Category
PFAS -> Other/unspecified
물리화학적 성질
- 끓는 점
- 102 °C · 102°C(lit.)
- 밀도
- 1.684 · 1.684±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Storage temp. -20°C
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- InChI
- InChI=1S/C8F13NO2/c9-2(10)3(11)23-8(20,21)5(14,6(15,16)17)24-7(18,19)4(12,13)1-22
- InChIKey
- LYIPDZSLYLDLCU-UHFFFAOYSA-N
- SMILES
- C(#N)C(F)(F)C(OC(C(F)(F)O/C(/F)=C(/F)\F)(F)C(F)(F)F)(F)F
- EPA
- 3 · Propanenitrile, 3-[1-[difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoro- (69804-19-9)
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, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationREACH registered substance: 3-[1-[difluoro[(trifluorovinyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropiononitrile (EC: 274-123-5)
Hazard Classes and CategoriesSkin Sens. 1 (100%)
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 2926.90.4801
화학 및 산업
용도 및 제조
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationPropanenitrile, 3-[1-[difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoro-: ACTIVE
공급사27 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上氟科技021-65170832 15601903708 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
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