2,2,2-トリフルオロアセトニトリル

Trifluoroacetonitrile

HCID 67710CAS 353-85-5

部分構造検索類似構造を探す

基本情報

標準SMILES: N#CC(F)(F)F
InChIKey: SFFUEHODRAXXIA-UHFFFAOYSA-N
分子式: C2F3N
平均分子量: 95.02 g/mol
単同位体質量: 94.99828349

名称と識別子

優先名称: Trifluoroacetonitrile
IUPAC: 2,2,2-trifluoroacetonitrile
現地名: 2,2,2-トリフルオロアセトニトリル
英語名: Trifluoroacetonitrile
分子式: C2F3N
分子量: 95.02

名称と別名

TrifluoroacetonitrileCyanotrifluoromethaneAcetonitrile, trifluoro-Acetonitrile, 2,2,2-trifluoro-CF3CNEINECS 206-542-6DTXSID1059862Acetonitrile, trifluoroRefChem:191578Acetonitrile, 2,2,2trifluoroDTXCID8038988206-542-6

名称をさらに表示

2,2,2-トリフルオロアセトニトリルシアノトリフルオロメタントリフルオロアセトニトリルTIFLUOROACETONITRILEperfluoroacetonitriletrifluoro-acetonitrilTrifluoromethyl cyanideacetonitrile,trifluoro-Trifluoroacetonitrile99%

SFFUEHODRAXXIA-UHFFFAOYSA-N353-85-52,2,2-trifluoroacetonitrileC2F3NMFCD00039478trifluoroethanenitriletrifluoroaceto-nitrileTrifluoroacetonitrile, 99%

データベース識別子

CAS: 353-85-5
PubChem CID: 67710
DTXSID: DTXSID1059862
EC Number: 206-542-6
Nikkaji: J102.044G

物性

構造計算による物性

XLogP: 1.1
極性表面積: 23.8 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 82

実験および物理化学的性質

Physical DescriptionLiquefied gas; [MSDSonline]

Kovats Retention Index246

物理化学的性質

融点: -144.42 °C · -144.42°C
沸点: -64 °C · -64 °C
比重(密度): 1.332 · 1.332±0.06 g/cm3(Predicted)
比熱容量: 0.82 J/ · Cp(gas): 0.82 J/(g·K), at 25℃
CAS データベース: 353 · 353-85-5(CAS DataBase Reference)
NISTの化学物質情報: Acetonitrile, trifluoro-(353-85-5)
EPAの化学物質情報: Acetonitrile, trifluoro- (353-85-5)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Hazards SummaryIn 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 CategoriesPress. Gas (Comp.) (100%)；Acute Tox. 2 (100%)

毒性情報

Adverse EffectsOther Poison - Chemical Asphyxiant

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 1955 2.3
risk_code: 26
hazard_code: T+,T
hazard_note: Toxic
safety_code: 38
hazard_class: GAS, TOXIC

化学と産業

用途と製造

General Manufacturing InformationAcetonitrile, 2,2,2-trifluoro-: INACTIVE

調製方法

製造方法Trifluoroacetonitrile is prepared by dehydration reaction using trifluoroacetamide as raw material and polyphosphoric acid as solvent under the effect of phosphorus pentoxide dehydrating agent.

上流・下流製品情報

下流製品

トリフルオロ酢酸 2,2,2-トリフルオロアセトアミジントリフルオロアセトアルデヒドアセタールトリフルオロ酢酸カリウム 4,6-ジヒドロキシ-2-(トリフルオロメチル)ニコチン酸エチル 1,1,1,2,2,2-ヘキサフルオロエタン Trifluoroacetyl isocyanate,2,2,2-トリフルオロエチルアミン 2,2,2-Trifluoro-N-propylacetimidamide Methyl 2,2,2-trifluoroacetimidate 2,2,2-Trifluoro-N,N-dihexylacetimidamide

サプライヤー29 社

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