基本情報
- CAS
68259-15-4- 標準SMILES
CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
HPPDPHZGXWMRHN-UHFFFAOYSA-N- 分子式
- C6F13SO2NHCH3
- 平均分子量
- 413.16 g/mol
- 単同位体質量
- 412.9755157
名称と識別子
- 優先名称
- Tridecafluoro-N-methylhexanesulphonamide
- IUPAC
- 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-methylhexane-1-sulfonamide
- 現地名
- 1,1,2,2,3,3,4,4,5,5,6,6,6-トリデカフルオロ-N-メチル-1-ヘキサンスルホンアミド
- 英語名
- tridecafluoro-N-methylhexanesulphonamide
- 分子式
- C7H4F13NO2S
- 分子量
- 413.16
名称と別名
68259-15-4Tridecafluoro-N-methylhexanesulphonamide1-Hexanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-methyl-Tridecafluoro-N-methyl-1-hexanesulfonamideEINECS 269-516-3DTXSID30713591,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-N-methyl-1-hexanesulfonamideRefChem:899386DTXCID3045809269-516-3n-methylperfluorohexanesulfonamide1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-methylhexane-1-sulfonamide
名称をさらに表示
1,1,2,2,3,3,4,4,5,5,6,6,6-トリデカフルオロ-N-メチル-1-ヘキサンスルホンアミドtridecafluoro-N-methylhexanesulphomideTridecafluoro-N-methylhexanesulfonamideN-Methyl-perfluorohexane-1-sulfonamide (>N-Methyl-perfluorohexane-1-sulfonamide (>90%)N-Methyl-n-perfluorohexanesulfonamide in methanoltridecafluoro-N-methylhexanesulphonamide in Methanol
N-Methyl-perfluorohexane-1-sulfonamide (>90%)N-Methylperfluorohexane sulfonamideMFCD19441383MeFHxSAN-Me-FHxSA ; N-Methylperfluorohexane Sulfonamide; 1-Hexanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-methyl- (9CI, ACI); 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-N-methyl-1-hexanesulfonamide; 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-N-methyl-1-hexanesulfonamide (ACI); N-MethylperfluorohexylsulfonamidePFHxSAm-MeW94ZXY7LD8SCHEMBL155317
物性
構造計算による物性
- XLogP
- 3.9
- 極性表面積
- 54.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 16
- 回転可能結合数
- 6
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 572
実験および物理化学的性質
PFAS
PFAS -> Perfluoroalkylsulfonamides
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> non-polymer
PFAS -> Other/unspecified
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
Collision Cross Section152.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]
物理化学的性質
- 融点
- 54 °C · >54°C (dec.)
- 沸点
- 194.2 · 194.2±50.0 °C(Predicted)
- 比重(密度)
- 1.686 · 1.686±0.06 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · -20°C Freezer
- 溶解性
- クロロホルム（微量）、メタノール（微量）
- 酸解離定数(Pka)
- 8.03 · 8.03±0.40(Predicted)
- 外見
- 個体
- 色
- オフホワイト
- Henry's Law Constant
- 6.7 · 6.7×10-5 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- EPAの化学物質情報
- 1 · 1-Hexanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-methyl- (68259-15-4)
化学的性質
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Hazard Traits - Bioaccumulation; Environmental Persistence
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: Tridecafluoro-N-methylhexanesulphonamide
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Hazardous to the aquatic environment (Long-term) - Category 4
安全データ
- tsca
- TSCA listed
- hs_code
- 2935909099
化学と産業
用途と製造
Uses
• Textile finishes [Ref: POPRC. 2018b. Risk Profile: Perfluorohexane Sulfonic Acid (CAS No: 355-46-4, PFHxS), Its Salts and PFHxS-Related Compounds - Addendum (UNEP/POPS/POPRC.14/6/Add.1).]
non-polymer PFAS -> Pesticides -> Active ingredients
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Hexanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-methyl-: INACTIVE
応用分野
使用N-Methyl-perfluorohexane-1-sulfonamide is a perfluoroalkyl sulfonic acid (PFSA) pollutant.
サプライヤー12 社
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
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