CAS 2043-57-4 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane (HCID 74888)

이름 및 식별자

우선 이름: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane
IUPAC: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane
현지명: 1,1,1,2,2,3,3,4,4,5,5,6,6-트리데카플루오로-8-요오도옥탄
영어명: 1H,1H,2H,2H-Perfluorooctyl iodide
분자식: C8H4F13I
분자량: 474

이름 및 동의어

1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane1H,1H,2H,2H-Perfluorooctyl iodide1-Iodo-1H,1H,2H,2H-perfluorooctaneOctane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-perfluorohexylethyl iodideDTXSID20475655GDR0T29RK1-Iodo-2-(perfluorohexyl)ethaneDTXCID0027565RefChem:708151H,1H,2H,2HPerfluoro1iodooctane1H,1H,2H,2HPerfluorooctyl iodide

이름 더 보기

1,1,1,2,2,3,3,4,4,5,5,6,6-트리데카플루오로-8-요오도옥탄Perfluorohexaethyl iodine2-(PERFLUOROHEXYL)ETHYL IODIDE1h,1h,2h,2h-perfluoro-1-iodooctane2-(Tridecafluorohexyl)ethyl iodide1H,1H,2H,2H-Tridecafluoro-n-octyl Iodide1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-octanTEI-6C1014NH8uoro-8-iodooctane

1,1,2,2Tetrahydroperfluorooctyliodide1,1,2,2Tetrahydroperfluorooctyl iodide3,3,4,4,5,5,6,6,7,7,8,8,8tridecafluorooctyl iodide8lodo1,1,1,2,2,3,3,4,4,5,5,6,6tridecafluorooctaneOctane, 1,1,1,2,2,3,3,4,4,5,5,6,6tridecafluoro8iodoNVVZEKTVIXIUKW-UHFFFAOYSA-N2043-57-4C8H4F13I

데이터베이스 식별자

CAS: 2043-57-4
PubChem CID: 74888
DTXSID: DTXSID2047565
ChEMBL: CHEMBL3185793
UNII: 5GDR0T29RK
EC Number: 218-056-1
Nikkaji: J28.293F

물성

구조 계산 물성

XLogP: 6.2
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 13
회전 가능 결합 수: 6
무거운 원자 수: 22
형식 전하: 0
복잡도: 395

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

PFAS · 6건

PFAS -> Other/unspecified

PFAS

PFAS -> F-telomer iodides (FI)

PFAS -> OECD Category

PFAS -> Other/unspecified

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

Vapor Pressure0.8 [mmHg]

Physical Description · 2건

CBI; Liquid

Colorless liquid; Melting point approximately 20 deg C; [Alfa Aesar MSDS] Solidified mass or fragments; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 21 °C · 21 °C
끓는 점: 92 °C45 · 92 °C45 mm Hg(lit.)
밀도: 1.934 g/mL · 1.934 g/mL at 25 °C(lit.)
증기압: 24 · 24-429Pa at 20-50℃
굴절률: 20 · n20/D 1.359(lit.)
인화점: 177 °F · 177 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 클로로포름, 메탄올(약간)에 용해됨
물리적 상태: 액체
색상: 투명한
수용성: 불용성
BRN: 1887105 · 1887105
Henry's Law Constant: 1.3 · 1.3×10-3 mol/(m3Pa) at 25℃, Abusallout et al. (2022)
안정성: 휘발성 물질
InChI: 1S/C8H4F13I/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2
InChIKey: CHTNKOVIYUCLTB-UHFFFAOYSA-N
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI
LogP: 3.8 at · 3.8 at 20℃ and pH6.6-7.1
EPA: 1 · Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo- (2043-57-4)

화학적 성질

clear liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 16.7% (9 of 54) of reports.

Warning

H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, 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 54 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-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-tridecafluoro-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)

Status: Active Update: 01-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/5953

Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Perfluorohexane.

Hazard Classes and CategoriesSkin Irrit. 2 (83.3%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29037790
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT-HARMFUL
F 고인화성물질: 8
위험 참고 사항: Harmful
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

UsesUsed as an intermediate consumed in synthesis; [ExPub: ECHA REACH Registrations]

U.S. Production2023: 400,000 - <550,000 lb

Industry UsesWaterproofing agent

Use Classification · 2건

PFAS -> F-telomer iodides (FI)

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-: ACTIVE

응용 분야

용도Perfluorohexylethyl Iodide, is a Polyfluorinated iodine alkanes (PFIs), which are important intermediates in the synthesis of organic fluoride products. It has also been shown to have potential estrogenic effects.