3',5'-ビス(トリフルオロメチル)アセトアニリド

3',5'-Bis(trifluoromethyl)acetanilide

HCID 723600CAS 16143-84-3

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: XMKZELXFBZUGEY-UHFFFAOYSA-N
分子式: C10H7F6NO
平均分子量: 271.16 g/mol
単同位体質量: 271.04318282

名称と識別子

優先名称: 3',5'-Bis(trifluoromethyl)acetanilide
IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]acetamide
現地名: 3',5'-ビス(トリフルオロメチル)アセトアニリド
英語名: 3,5-Bis(trifluoromethyl)acetanilide
分子式: C10H7F6NO
分子量: 271.16

名称と別名

3',5'-Bis(trifluoromethyl)acetanilideRefChem:484544664-946-116143-84-3n-[3,5-bis(trifluoromethyl)phenyl]acetamide3,5-Bis(Trifluoromethyl)AcetanilideN-(3,5-Bis(trifluoromethyl)phenyl)acetamideMFCD00089454Maybridge1_000017CBMicro_045192GNF-Pf-1581DTXSID90352343

名称をさらに表示

3',5'-ビス(トリフルオロメチル)アセトアニリド3,5-ビス(トリフルオロメチル)アセトアニリドN-[3,5-ビス(トリフルオロメチル)フェニル]アセトアミド3,5-DI(TRIFLUOROMETHYL)ACETANILIDE3,5-Ditrifluoromethylphenylacetamide3',5'-Bis(trifluoromethyl)acetanilide97%3',5'-Bis(trifluoromethyl)acetanilide 97%N1-[3,5-DI(TRIFLUOROMETHYL)PHENYL]ACETAMIDE

Acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-Cl-4459AKOS003587357BIM-0045353.P0011-acetamido-3,5-bis(trifluoromethyl)benzeneAB00102507-01MixCom1_000017CHEMBL602999

データベース識別子

CAS: 16143-84-3
PubChem CID: 723600
DTXSID: DTXSID90352343
ChEMBL: CHEMBL602999
EC Number: 664-946-1
Nikkaji: J1.564.883J

物性

構造計算による物性

XLogP: 3.7
極性表面積: 29.1 Å²
水素結合供与体数: 1
水素結合受容体数: 7
回転可能結合数: 1
重原子数: 18
形式電荷: 0
複雑度: 288

物理化学的性質

融点: 160 °C · 160 °C
沸点: 262.6 · 262.6±40.0 °C(Predicted)
比重(密度): 1.43 · 1.430±0.06 g/cm3(Predicted)
酸解離定数(Pka): 14.03 · 14.03±0.70(Predicted)
CAS データベース: 16143 · 16143-84-3(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 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.