CAS 198205-79-7 2'-Trifluoromethyl (1,1'-biphenyl)-4-carboxylic acid (HCID 2782714)

基本情報

CAS: 198205-79-7
標準SMILES: O=C(O)c1ccc(-c2ccccc2C(F)(F)F)cc1
InChIKey: WQKDEUGMDSTMAK-UHFFFAOYSA-N
分子式: C14H9F3O2
平均分子量: 266.21 g/mol
単同位体質量: 266.05546401

名称と識別子

優先名称: 2'-Trifluoromethyl (1,1'-biphenyl)-4-carboxylic acid
IUPAC: 4-[2-(trifluoromethyl)phenyl]benzoic acid
現地名: 2'-トリフルオロメチルビフェニル-4-カルボン酸
英語名: 2'-TRIFLUOROMETHYLBIPHENYL-4-CARBOXYLIC ACID
分子式: C14H9F3O2
分子量: 266.22

名称と別名

2'-trifluoromethyl [1,1'-biphenyl]-4-carboxylic acid2'-Trifluoromethyl (1,1'-biphenyl)-4-carboxylic acidRefChem:439735672-180-4198205-79-72'-Trifluoromethyl-biphenyl-4-carboxylic acid2'-(Trifluoromethyl)-[1,1'-biphenyl]-4-carboxylic acid4-[2-(trifluoromethyl)phenyl]benzoic Acid2'-trifluoromethylbiphenyl-4-carboxylic acid2'-(Trifluoromethyl)biphenyl-4-carboxylic AcidMFCD034246052'-(Trifluoromethyl)biphenyl

名称をさらに表示

2'-トリフルオロメチルビフェニル-4-カルボン酸AKOS BAR-00224-[2-(trifluoromethyl)phenyl]benzoate4-(2-(Trifluoromethyl)phenyl)benzoic acidTrifluoromethylbiphenyl-4-carboxylic acid4-(2,4-Bis(trifluoromethyl)phenyl)benzoic acid2′-Trifluoromethyl-biphenyl-4-carboxylic acid, CAS 198205-79-7

4-(2-Trifluoromethylphenyl)benzoic acid2'-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylic acidSCHEMBL566127[1,1'-Biphenyl]-4-carboxylic acid, 2'-(trifluoromethyl)-2/'-TRIFLUOROMETHYLBIPHENYL-4-CARBOXYLIC ACIDBB 0222374[1,1'-Biphenyl]-4-SCHEMBL29869199

データベース識別子

CAS: 198205-79-7
PubChem CID: 2782714
DTXSID: DTXSID00382232
EC Number: 672-180-4

物性

構造計算による物性

XLogP: 4
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 19
形式電荷: 0
複雑度: 319

物理化学的性質

沸点: 380.777 · 380.777±42.00 °C(Press: 760.00 Torr)(predicted)
比重(密度): 1.326 · 1.326±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 4.072 · 4.072±0.10(predicted)
CAS データベース: 198205 · 198205-79-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 2 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.