CAS 149680-95-5 4,4,4-Trifluoro-3-phenylbutanoic acid (HCID 10376072)

基本情報

CAS: 149680-95-5
標準SMILES: O=C(O)CC(c1ccccc1)C(F)(F)F
InChIKey: RYLOHTVBYHZHMN-UHFFFAOYSA-N
分子式: C10H9F3O2
平均分子量: 218.17 g/mol
単同位体質量: 218.05546401

名称と識別子

優先名称: 4,4,4-Trifluoro-3-phenylbutanoic acid
IUPAC: 4,4,4-trifluoro-3-phenylbutanoic acid

名称と別名

4,4,4-trifluoro-3-phenylbutanoic acid149680-95-5RefChem:506976819-328-84,4,4-trifluoro-3-phenyl-butanoic AcidSCHEMBL3053473RYLOHTVBYHZHMN-UHFFFAOYSA-NZFA68095MFCD007644554,4,4-trifluoro-3-phenylbutanoicacidAKOS012456559AT25127

名称をさらに表示

CS-0258008EN300-68825Z1095353332

データベース識別子

CAS: 149680-95-5
PubChem CID: 10376072
EC Number: 819-328-8

物性

構造計算による物性

XLogP: 2.8
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: 3
重原子数: 15
形式電荷: 0
複雑度: 219

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.