HCID67710

Trifluoroacetonitrile

2,2,2-trifluoroacetonitrile

C2F3N95.02 g/molCAS 353-85-5

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IDENTITY

结构与身份

标准SMILES: N#CC(F)(F)F
InChIKey: SFFUEHODRAXXIA-UHFFFAOYSA-N
分子式: C2F3N
平均分子量: 95.02 g/mol
单同位素质量: 94.99828349

COMPUTED

结构计算性质

已同步

XLogP: 1.1
极性表面积: 23.8 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 0
重原子: 6
形式电荷: 0
复杂度: 82

PROPERTIES

实验与物化性质

Physical Description

Liquefied gas; [MSDSonline]

Kovats Retention Index

246

GHS

GHS分类

GHS Classification

Danger

H280 (100%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]；H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]

P260, P271, P284, P304+P340, P316, P320, P403+P233, P405, P410+P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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.

HAZARDS

危害信息

Hazards Summary

In confined space spill, may displace air and act as simple asphyxiant; Evaporating liquid can cause frostbite; May cause irritation; Highly toxic by inhalation; [MSDSonline] See NITRILES.

Hazard Classes and Categories

Press. Gas (Comp.) (100%)；Acute Tox. 2 (100%)

TOXICITY

毒理信息

Adverse Effects

Other Poison - Chemical Asphyxiant

USES

用途与制造

General Manufacturing Information

Acetonitrile, 2,2,2-trifluoro-: INACTIVE

ALIASES

名称与别名

共 26 条

TrifluoroacetonitrileCyanotrifluoromethaneAcetonitrile, trifluoro-Acetonitrile, 2,2,2-trifluoro-CF3CNEINECS 206-542-6DTXSID1059862Acetonitrile, trifluoroRefChem:191578Acetonitrile, 2,2,2trifluoroDTXCID8038988206-542-6SFFUEHODRAXXIA-UHFFFAOYSA-N353-85-52,2,2-trifluoroacetonitrileC2F3NMFCD00039478trifluoroethanenitriletrifluoroaceto-nitrileTrifluoroacetonitrile, 99%

REACTIONS

相关反应

20 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737136B2

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uspto-grants-1986_09 · 10.6084/m9.figshare.5104873.v1 · US04609399

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07863454B2

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uspto-grants-1987_10 · 10.6084/m9.figshare.5104873.v1 · US04698093

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-1988_12 · 10.6084/m9.figshare.5104873.v1 · US04789395

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