1H-トリデカフルオロヘキサン

1H-Perfluorohexane

HCID 67730CAS 355-37-3

部分構造検索類似構造を探す

基本情報

標準SMILES: FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey: XJSRKJAHJGCPGC-UHFFFAOYSA-N
分子式: C6HF13
平均分子量: 320.05 g/mol
単同位体質量: 319.9870661

名称と識別子

優先名称: 1H-Perfluorohexane
IUPAC: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane
現地名: 1H-トリデカフルオロヘキサン
英語名: 1H-Perfluorohexane
分子式: C6HF13
分子量: 320.05

名称と別名

1H-Perfluorohexane1,1,1,2,2,3,3,4,4,5,5,6,6-TridecafluorohexaneEINECS 206-581-9837H3TP46UTrideca-1,1,1,2,2,3,3,4,4,5,5,6,6-fluorohexane1-hydrotridecafluorohexaneHexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-DTXSID20188995HFC 52-13PRefChem:79905DTXCID80111486XJSRKJAHJGCPGC-UHFFFAOYSA-N

名称をさらに表示

1H-トリデカフルオロヘキサン1H-パーフルオロヘキサン1，1，1，2，2，3，3，4，4，5，5，6，6-トリデカフルオロヘキサン1,1,2,2,3,3,4,4,5,5,6,6,6-トリデカフルオロヘキサンIH-PerfluorohexaneTRIDECAFLUOROHEXANE1H-Perfluorohexane98%1H-Perfluorohexane,97%1H-Perfluorohexane 98%1H-Tridecafluoro-n-hexane1H-Tridecafluorohexane 98%

355-37-31H-TridecafluorohexaneMFCD001426321H-Perfluorohexane, 95%SCHEMBL37631SCHEMBL37632UNII-837H3TP46UC6F13H

データベース識別子

CAS: 355-37-3
PubChem CID: 67730
DTXSID: DTXSID20188995
UNII: 837H3TP46U
EC Number: 206-581-9
Nikkaji: J95.349K

物性

構造計算による物性

XLogP: 4.9
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 13
回転可能結合数: 4
重原子数: 19
形式電荷: 0
複雑度: 323

実験および物理化学的性質

Kovats Retention Index300

物理化学的性質

融点: -93 ℃ · -93℃
沸点: 71 °C · 71°C
比重(密度): 1 · 1,6843 g/cm3
蒸気圧: 15 kPa · 15kPa at 20℃
屈折率: 1.3 · 1.3
闪点: 110 · >110
外見: clear liquid
比重: 1.6843 · 1.6843
色: Colorless to Almost colorless
水溶解度: 1.5 mg/L · 1.5mg/L at 20℃
BRN: 1799000 · 1799000
InChI: InChI=1S/C6HF13/c7-1(8)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)19/h1H
InChIKey: XJSRKJAHJGCPGC-UHFFFAOYSA-N
SMILES: C(F)(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
LogP: 4.1 at · 4.1 at 35℃
CAS データベース: 355 · 355-37-3(CAS DataBase Reference)
EPAの化学物質情報: 1 H-Perfluorohexane · 1H-Perfluorohexane (355-37-3)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (25%): 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 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.；There is 1 notification provided by 1 of 4 reports by companies with hazard statement code(s).；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.