CAS 2043-55-2 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane (HCID 74887)

이름 및 식별자

우선 이름: 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane
IUPAC: 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane
현지명: 1H,1H,2H,2H-퍼플루오로헥실요오다이드
영어명: 1H,1H,2H,2H-Perfluorohexyl iodide
분자식: C6H4F9I
분자량: 373.99

이름 및 동의어

2043-55-21,1,1,2,2,3,3,4,4-NONAFLUORO-6-IODOHEXANEHexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo-7JN3IKF9RXEINECS 218-055-61,1,2,2-TetrahydroperfluorohexyliodideCXHFIVFPHDGZIS-UHFFFAOYSA-1,1,2,2-Tetrahydroperfluorohexyl iodideRefChem:409347218-055-6InChI=1/C6H4F9I/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h1-2H21H,1H,2H,2H-Perfluorohexyl iodide

이름 더 보기

1H,1H,2H,2H-퍼플루오로헥실요오다이드uoro-1-iodohexaneNonafluoro-6-iodohexanePerfluorobutyl ethyl iodidePerfluorobutyl ethyl iodine2-(PERFLUOROBUTYL)ETHYL IODIDE2-(Perfluorobutyl) Ethyl Iodides

C6H4F9I2-(Nonafluorobutyl)ethyl IodideMFCD000394091H,1H,2H,2H-Nonafluorohexyl Iodide1-iodo-1h,1h,2h,2h-nonafluorohexaneDTXSID10475786-Iodo-1,1,1,2,2,3,3,4,4-nonafluorohexane2-(Perfluobutyl) Ethyl Iodide

데이터베이스 식별자

CAS: 2043-55-2
PubChem CID: 74887
DTXSID: DTXSID1047578
ChEMBL: CHEMBL3184514
UNII: 7JN3IKF9RX
EC Number: 218-055-6
Nikkaji: J298.664G

물성

구조 계산 물성

XLogP: 4.8
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 9
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 243

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

녹는점: -25 °C · -25°C
끓는 점: 138 °C · 138 °C
밀도: 1.94 g/mL · 1.94 g/mL at 20 °C (lit.)
굴절률: 20 · n20/D 1.370
인화점: 138 · 138-140°C
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 메탄올(약간)에 용해됨
물리적 상태: 투명한 액체
Specific Gravity: 1.94 · 1.940
색상: Colorless to Light yellow to Light red
BRN: 1870862 · 1870862
Henry's Law Constant: 8.8 · 8.8×10-7 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: 1S/C6H4F9I/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h1-2H2
InChIKey: CXHFIVFPHDGZIS-UHFFFAOYSA-N
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI
EPA: 1 · Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo- (2043-55-2)

화학적 성질

Red liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 · 2건

Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-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)

Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-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.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

규제 정보

Regulatory Information · 2건

Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-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)

Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-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.

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29037800
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
위험 등급: IRRITANT
F 고인화성물질: 8
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

U.S. Production2023: <50,000 lb；2022: <50,000 lb；2021: 250,000 - <550,000 lb；2020: <50,000 lb

Use Classification · 2건

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

PFAS -> F-telomer iodides (FI)

General Manufacturing InformationHexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo-: ACTIVE

응용 분야 · 2건

개요1H,1H,2H,2H-Perfluorohexyl iodide is a polyfluorinated iodine alkane (PFI). This compound consists of an even-numbered hydrophobic alkyl chain (typically C4–C12), which is wholly or partially fluorinated and includes an iodine atom at one or both ends. PFIs are reaction products synthesized from the telomerization process by iodine pentafluoride reacting with unsaturated taxogen molecules such as tetrafluoroethylene and ethylene. PFIs are used as critical industrial intermediates for producing various PFCs, such as fluorotelomer alcohols, olefins, and acrylate monomers[1].

용도1H,1H,2H,2H-Perfluorohexyl iodide has been used for the study for fluorinated phosphonium ionic liquids as a reagent, and in general is used as a reactant in organic reactions.