기본 정보
- 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
이름 더 보기
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
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
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];H319 (78.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (76.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H413 (10.8%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
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.;Reported as not meeting GHS hazard criteria per 7 of 65 reports by companies.;There are 9 notifications provided by 58 of 65 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
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;EC: 208-079-5;Date of inclusion in the POPs Regulation: 15-Jun-2020;POPs Regulation Annex: Annex I, part A; Annex IV
Hazard Classes and Categories
Skin Irrit. 2 (78.5%);Eye Irrit. 2 (78.5%);STOT SE 3 (76.9%);Aquatic Chronic 4 (10.8%)
Hazardous to the aquatic environment (Long-term) - Category 4
규제 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;EC: 208-079-5;Date of inclusion in the POPs Regulation: 15-Jun-2020;POPs Regulation Annex: Annex I, part A; Annex IV
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
Use Classification
PFAS -> PFalkyliodides (PFAI)
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
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.
상·하류 제품 정보
하류 제품
공급사50 곳
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