基本情報
- CAS
34143-74-3- 標準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)CCS- InChIKey
URJIJZCEKHSLHA-UHFFFAOYSA-N- 分子式
- C8F17CH2CH2SH
- 平均分子量
- 480.19 g/mol
- 単同位体質量
- 479.9840509
概要
structure in first source
名称と識別子
- 優先名称
- 1,1,2,2-Tetrahydroperfluorodecanethiol
- IUPAC
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-thiol
- 現地名
- 2-(ヘプタデカフルオロオクチル)エタンチオール
- 英語名
- 1H,1H,2H,2H-Perfluorodecanethiol
- 分子式
- C10H5F17S
- 分子量
- 480.19
名称と別名
名称をさらに表示
データベース識別子
- CAS
34143-74-3- PubChem CID
- 542755
- DTXSID
DTXSID20337446- UNII
- 7D5R6U82KA
- EC Number
- 629-356-0
- Nikkaji
- J25.767B
物性
構造計算による物性
- XLogP
- 6.7
- 極性表面積
- 1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 18
- 回転可能結合数
- 8
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 559
実験および物理化学的性質
PFAS
PFAS -> OECD Category
PFAS -> Fluorotelomer based substances
PFAS -> Other/unspecified
PFAS -> non-polymer
PFAS -> Other/unspecified
物理化学的性質
- 融点
- 15 °C · 15 °C
- 沸点
- 82 °C · 82 °C
- 比重(密度)
- 1.678 g/mL · 1.678 g/mL at 25 °C
- 屈折率
- 20 · n20/D 1.333
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 外見
- liquid
- 酸解離定数(Pka)
- 9.61 · 9.61±0.10(Predicted)
- InChI
- InChI=1S/C10H5F17S/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2
- InChIKey
- URJIJZCEKHSLHA-UHFFFAOYSA-N
- SMILES
- C(S)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
- CAS データベース
- 34143 · 34143-74-3(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · 2-(Perfluorooctyl)ethanthiol (34143-74-3)
安全と法規制
GHS分類
GHS Classification
Warning
H315 (97.7%): 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 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
安全データ
- F
- 10-23
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Dam. 1Lact.Repr. 1BSTOT RE 1
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
用途と製造
Uses
non-polymer PFAS -> Personal Care products and cosmetics -> Cosmetics and personal care products in general
• Cosmetic composition [Ref: CAS2019 (WO9427960)]
応用分野
使用1H, 1H, 2H, 2H-perfluorododecyl mercaptan is a perfluorinated organic substance and can be used as an organic reagent.
一般的な説明1H,1H,2H,2H-Perfluorodecanethiol (PFDT) is a fluoro-organothiol that provides a hydrophobic surface coating by forming a self-assemble monolayer (SAM) that increases the wettability and lowers the surface energy.
上流・下流製品情報
下流製品
サプライヤー100 社
補足説明
定義1H,1H,2H,2H-Perfluorodecanethiol organization on the surface provides oxidation-blocking factors and anti-corrosion properties inferior to the ones of n-dodecanethiol-based SAMs but satisfying enough for the aimed applications. This accounted for lower packing density and a larger number of defects for the fluoro organic SAMs due to electrostatic and steric repulsion between fluorine atoms along the carbon chain and to a too small number of CH2 groups forbidding satisfying Van der Waals interactions[1]. 1H,1H,2H,2H-perfluorodecanethiol (PFDT) could grafted 1,2-polybutadiene (PB) to fabricated transparent antismudge coatings with thermally assisted healing ability. The PFDT endows the resulting coatings with a "liquid-like" surface. Thus, various liquids with a wide range of surface tensions can readily slide off the coatings without leaving any residue[2].
関連反応
化合物ノート
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