2,3,3,3-테트라플루오로-2-(트라이플루오로메틸)프로판나이트릴
2,3,3,3-Tetrafluoro-2-(trifluoromethyl)propanenitrile
기본 정보
- CAS
42532-60-5- 표준 SMILES
N#CC(F)(C(F)(F)F)C(F)(F)F- InChIKey
AASDJASZOZGYMM-UHFFFAOYSA-N- 분자식
- C4F7N
- 평균 분자량
- 195.04 g/mol
- 단동위원소 질량
- 194.99189614
이름 및 식별자
- 우선 이름
- 2,3,3,3-Tetrafluoro-2-(trifluoromethyl)propanenitrile
- IUPAC
- 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanenitrile
- 현지명
- 2,3,3,3-테트라플루오로-2-(트라이플루오로메틸)프로판나이트릴
- 영어명
- Perfluoroisobutyronitrile
- 분자식
- C4F7N
- 분자량
- 195.04
이름 및 동의어
2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanenitrilePropanenitrile, 2,3,3,3-tetrafluoro-2-(trifluoromethyl)-DTXSID90505110EC 806-451-7RefChem:81181DTXCID50455920806-451-742532-60-5perfluoroisobutyronitrileHEPTAFLUOROISOBUTYRONITRILENOVEC 4710SCHEMBL7111438
이름 더 보기
2,3,3,3-테트라플루오로-2-(트라이플루오로메틸)프로판나이트릴퍼플루오로이소부티로니트릴C4F7N
Heptafluoroisobutyronitrile, 95 %MFCD18641876AKOS006370664NS00003821
데이터베이스 식별자
- CAS
42532-60-5- PubChem CID
- 12633773
- DTXSID
DTXSID90505110- EC Number
- 806-451-7
- Nikkaji
- J3.610.425B
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 23.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 200
실험 및 물리화학적 성질
PFAS
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> PFAS with analytical method available
PFAS -> Other/unspecified
PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
PFAS -> Other/unspecified
PFAS -> OECD Category
Physical DescriptionCBI
물리화학적 성질
- 끓는 점
- 26.1 · 26.1±40.0 °C(Predicted)
- 밀도
- 1.545 · 1.545±0.06 g/cm3(Predicted)
- 증기압
- 296.509 kPa · 296.509kPa at 25℃
- Henry's Law Constant
- 1.6 · 1.6×10-8 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- InChI
- InChI=1S/C4F7N/c5-2(1-12,3(6,7)8)4(9,10)11
- InChIKey
- AASDJASZOZGYMM-UHFFFAOYSA-N
- SMILES
- C(#N)C(F)(C(F)(F)F)C(F)(F)F
- LogP
- 1.7 · 1.7-4.3 at 23.9-24℃
- EPA
- 2 · Propanenitrile, 2,3,3,3-tetrafluoro-2-(trifluoromethyl)- (42532-60-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H280 (100%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]
P261, P271, P304+P340, P317, and P410+P403 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Propanenitrile, 2,3,3,3-tetrafluoro-2-(trifluoromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanenitrile, 2,3,3,3-tetrafluoro-2-(trifluoromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanenitrile (EC: 806-451-7)
Propanenitrile, 2,3,3,3-tetrafluoro-2-(trifluoromethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesPress. Gas (Liq.) (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
Industry UsesInsulators
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Propanenitrile, 2,3,3,3-tetrafluoro-2-(trifluoromethyl)-: ACTIVE
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