CAS 65735-71-9 4-Chloro-3-(trifluoromethyl)benzyl alcohol (HCID 2778111)

基本情報

CAS: 65735-71-9
標準SMILES: OCc1ccc(Cl)c(C(F)(F)F)c1
InChIKey: JRYCPYROZOWIDJ-UHFFFAOYSA-N
分子式: C8H6ClF3O
平均分子量: 210.58 g/mol
単同位体質量: 210.005927

名称と識別子

優先名称: 4-Chloro-3-(trifluoromethyl)benzyl alcohol
IUPAC: [4-chloro-3-(trifluoromethyl)phenyl]methanol
現地名: 4-クロロ-3-(トリフルオロメチル)ベンジルアルコール
英語名: 4-Chloro-3-(trifluoromethyl)benzyl alcohol
分子式: C8H6ClF3O
分子量: 210.58

名称と別名

65735-71-94-Chloro-3-(trifluoromethyl)benzyl alcoholDTXSID40380777RefChem:291623DTXCID60331802(4-Chloro-3-(trifluoromethyl)phenyl)methanol[4-chloro-3-(trifluoromethyl)phenyl]methanolMFCD016315384-Chloro-3-trifluoromethylbenzyl alcohol(4-chloro-3-trifluoromethyl-phenyl)-methanol[4-chloro-3-(trifluoromethyl)phenyl]methan-1-olBenzenemethanol, 4-chloro-3-(trifluoromethyl)-

名称をさらに表示

4-クロロ-3-(トリフルオロメチル)ベンジルアルコールRARECHEM AL BD 02862-Chloro-5-(hydroxymethyl)benzotrifluoride4-Chloro-3-(trifluoromethyl)benzyl alcohol, 97+%

SCHEMBL932893SCHEMBL16952200SCHEMBL29556319CL8726SBB094393AKOS015849959AC-4169CS-W015096

データベース識別子

CAS: 65735-71-9
PubChem CID: 2778111
DTXSID: DTXSID40380777
EC Number: 670-759-6

物性

構造計算による物性

XLogP: 2.5
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 171

物理化学的性質

融点: 44 · 44-46°C
沸点: 236 ℃ · 236℃
比重(密度): 1.416 · 1.416
闪点: 97 ℃ · 97℃
貯蔵温度: Sealed in dry,Room Temperature
外見: fused solid
酸解離定数(Pka): 13.78 · 13.78±0.10(Predicted)
色: Off-white
CAS データベース: 65735 · 65735-71-9(CAS DataBase Reference)

化学的性質

化学的特性colorless to light yellow liquid

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 5 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.