Perfluorooctanoyl chloride

HCID 78978CAS 335-64-8

기본 정보

표준 SMILES: O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey: AQQBRCXWZZAFOK-UHFFFAOYSA-N
분자식: C8ClF15O
평균 분자량: 432.51 g/mol
단동위원소 질량: 431.9398156

이름 및 식별자

우선 이름: Perfluorooctanoyl chloride
IUPAC: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl chloride
영어명: Pentadecafluorooctanoyl chloride
분자식: C8ClF15O
분자량: 432.51

이름 및 동의어

Perfluorooctanoyl chloride335-64-8Pentadecafluorooctyl chloride9BR9NAK9W6RefChem:859712206-394-2Pentadecafluorooctanoyl chloride2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanoyl chloridePerfluorooctanoylchlorideC8ClF15OMFCD00013654DTXSID40187142

이름 더 보기

PERFLUOROOCTANYL CHLORIDEXin chloride perfluorinatedPerfluorooctanoylchloride97%Perfluorooctanoyl chloride 97%

Octanoyl chloride, pentadecafluoro-EINECS 206-394-2perflurooctanoyl chloridePerfluorocaprylic chlorideUNII-9BR9NAK9W6n-Perfluorooctanoyl chlorideSCHEMBL159453Perfluorooctanoic acid chloride

데이터베이스 식별자

CAS: 335-64-8
PubChem CID: 78978
DTXSID: DTXSID40187142
UNII: 9BR9NAK9W6
EC Number: 206-394-2
Nikkaji: J193.772C

물성

구조 계산 물성

XLogP: 5.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 16
회전 가능 결합 수: 6
무거운 원자 수: 25
형식 전하: 0
복잡도: 532

실험 및 물리화학적 성질

PFAS · 3건

PFAS -> Other/unspecified

PFAS -> OECD Category

물리화학적 성질

녹는점: 74 · 74-75 °C(Solv: benzene (71-43-2))
끓는 점: 129 · 129-130 °C/744 mmHg (lit.)
밀도: 1.744 g/mL · 1.744 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.3045(lit.)
인화점: 230 °F · >230 °F
저장 조건: 30 °C · Store below +30°C.
수용성: 물과 반응합니다.
BRN: 1809677 · 1809677
InChI: 1S/C8ClF15O/c9-1(25)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24
InChIKey: AQQBRCXWZZAFOK-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(Cl)=O
NIST: Perfluorooctanoyl chloride(335-64-8)
EPA: Pentadecafluorooctyl chloride (335-64-8)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29159080
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
위험 참고 사항: Corrosive
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Dam. 1Lact.Repr. 1BSTOT RE 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category

응용 분야 · 1건

용도Pentadecafluorooctanoyl chloride can be used:In the derivatization of poly(2-hydroxyethyl methacrylate) (PHEMA) via esterification for use as composite membranes.In the fabrication of superhydrophobic cellulose surfaces.As a reagent for the esterification of hydroxyl-functionalized gold nanocrystals.As a reagent in the synthesis of fluorous derivatives of diaminocyclohexane which are used as ligands.