Perfluorooctyl iodide
기본 정보
- CAS
507-63-1- 표준 SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I- InChIKey
KWXGJTSJUKTDQU-UHFFFAOYSA-N- 분자식
- C8F17I
- 평균 분자량
- 545.96 g/mol
- 단동위원소 질량
- 545.87733
이름 및 식별자
- 우선 이름
- Perfluorooctyl iodide
- IUPAC
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodooctane
- 영어명
- Perfluorooctyl iodide
- 분자식
- C8F17I
- 분자량
- 545.96
이름 및 동의어
Perfluorooctyl iodide507-63-1Heptadecafluoro-1-iodooctane1-Iodoperfluorooctane1-IodoheptadecafluorooctanePerfluoro-1-iodooctaneOctane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo-DTXSID0060147072985Y799RefChem:171673DTXCID6040901208-079-5
이름 더 보기
TI-8C1014NH7uorooctyLPerfluorooctyl iodinePerfluorooctyliodide98%
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-8-iodooctaneHeptadecafluoro-n-octyl IodidePerfluoro-n-octyl IodideC8F17IHeptadecafluorooctyl iodideMFCD00001064OCTANE, HEPTADECAFLUORO-1-IODO-BRN 1717141
데이터베이스 식별자
- CAS
507-63-1- PubChem CID
- 10491
- DTXSID
DTXSID0060147- UNII
- 072985Y799
- EC Number
- 208-079-5
- Nikkaji
- J97.538I
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 527
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> PFalkyliodides (PFAI)
PFAS -> OECD Category
Endocrine DisruptorsPotential endocrine disrupting compound
Physical Description
Liquid
Clear light pink solid or liquid; mp = 25 deg C; [Acros Organics MSDS]
물리화학적 성질
- 녹는점
- 25 °C · 25 °C
- 끓는 점
- 160 · 160-161 °C(lit.)
- 밀도
- 2.067 g/mL · 2.067 g/mL at 20 °C(lit.)
- 굴절률
- 20 · n20/D 1.329(lit.)
- 인화점
- 160 · 160-161°C
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 클로로포름, 아세트산에틸(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 녹은 후에 액체
- 색상
- 투명한 무색~노란색 또는 연한 분홍색
- BRN
- 1717141 · 1717141
- InChI
- 1S/C8F17I/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26
- InChIKey
- KWXGJTSJUKTDQU-UHFFFAOYSA-N
- SMILES
- FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
- NIST
- Perfluorooctyl iodide(507-63-1)
- EPA
- 1 · Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- (507-63-1)
화학적 성질
clear light pink liquid after melting
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 10.8% (7 of 65) of reports.
Warning
H315 (78.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, 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 65 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
유해성 정보
Regulatory Information
Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- 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)
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: Heptadecafluoro-1-iodooctane
Hazards SummaryIntravenous LD50 (mouse) = 7,500 mg/kg; [RTECS] An irritant; [Acros Organics MSDS] See Perfluoromethylcyclohexane.
Hazard Classes and Categories
Skin Irrit. 2 (78.5%)
Hazardous to the aquatic environment (Long-term) - Category 4
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- RG9700050
- ridadr
- UN 2922
- 독성
- LD50 ivn-mus: 7500 mg/kg MIVRA6 8,320,74
- HS 번호
- 29037800
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- 포장분류
- III
- 위험 등급
- 6.1(b)
- F 고인화성물질
- 8
- 위험 참고 사항
- Harmful
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances used to allow enhanced visualization of tissues.
Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells.
Agents that increase energy expenditure and weight loss by neural and metabolic regulation.
용도 및 제조
U.S. Production2023: 250,000 - <550,000 lb
Industry UsesIntermediate
Use Classification
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
PFAS -> PFalkyliodides (PFAI)
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo-: ACTIVE
응용 분야
용도Perfluorooctyl Iodide is a perfluoroalkyl iodide used in organocatalysis via substrate activation by halogen bonding. Perfluorooctyl Iodide is a potential candidate substitute for banned Halon fire extinguishers.
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