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基本情報
- CAS
1547-87-1- 標準SMILES
CN(C)C(=O)C(F)(F)F- InChIKey
WXBWKMLIVXELSF-UHFFFAOYSA-N- 分子式
- C4H6F3NO
- 平均分子量
- 141.09 g/mol
- 単同位体質量
- 141.0401483
名称と識別子
- 優先名称
- 2,2,2-Trifluoro-N,N-dimethylacetamide
- IUPAC
- 2,2,2-trifluoro-N,N-dimethylacetamide
- 現地名
- N,N-ジメチル-2,2,2-トリフルオロアセトアミド
- 英語名
- N,N-Dimethyltrifluoroacetamide
- 分子式
- C4H6F3NO
- 分子量
- 141.09
名称と別名
1547-87-12,2,2-Trifluoro-N,N-dimethylacetamideDTXSID70325570RefChem:440497DTXCID00276687671-651-1N,N-DimethyltrifluoroacetamideAcetamide, 2,2,2-trifluoro-N,N-dimethyl-MFCD00043555NSC5117052,2,2-trifluoro-N,N-dimethyl-acetamideDimethyltrifluoroacetamide
名称をさらに表示
N,N-ジメチルトリフルオロアセトアミドN,N-ジメチル-2,2,2-トリフルオロアセトアミド2,2,2-トリフルオロ-N,N-ジメチルアセトアミドTIMTEC-BB SBB008188N,N-diMethyltrifluoroacetaMaideN,N'-dimethyl-trifluoroacetamide
CF3CON(CH3)2SCHEMBL321052n,n-dimethyl-trifluoroacetamideTrifluoro-N,N-dimethylacetamideTZHNEAUIKHEGBD-UHFFFAOYSA-NSBB008188XH1032AKOS000442190
データベース識別子
- CAS
1547-87-1- PubChem CID
- 350491
- DTXSID
DTXSID70325570- EC Number
- 671-651-1
- Nikkaji
- J397.245C
物性
構造計算による物性補完中
- XLogP
- 0.8
- 極性表面積
- 20.3 Ų
- 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
- 9
- 形式電荷
- 0
- 複雑度
- 117
物理化学的性質
- 沸点
- 132 °C · 132 °C
- 比重(密度)
- 1.23 · 1.23
- 屈折率
- 1.361 to · 1.3610 to 1.3650
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 外見
- clear liquid
- 酸解離定数(Pka)
- -1 · -1+-.0.70(Predicted)
- 色
- Colorless to Almost colorless
- 比重
- 1.23 · 1.23
- InChI
- InChI=1S/C4H6F3NO/c1-8(2)3(9)4(5,6)7/h1-2H3
- InChIKey
- WXBWKMLIVXELSF-UHFFFAOYSA-N
- SMILES
- C(N(C)C)(=O)C(F)(F)F
- CAS データベース
- 1547 · 1547-87-1(CAS DataBase Reference)
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
H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 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
Hazard Classes and CategoriesFlam. Liq. 3 (66.7%)；Acute Tox. 4 (33.3%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (66.7%)
安全データ
- ridadr
- UN 1993 3/PG III
- hs_code
- 2924297099
- risk_code
- 36/37/38
- 消防法
- 危-4-2-III
- hazard_code
- Xi
- safety_code
- 26-36/37/39
化学と産業
応用分野
使用N,N-Dimethyltrifluoroacetamide is used as an electrolyte additive for lithium-ion batteries, which helps to improve the performance of PC-based electrolytes and the low-temperature performance of lithium-ion batteries.
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