2,3,4,5-Tetrafluoro-6-methylbenzoic acid

HCID 12943997

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 57612-65-4
標準SMILES: Cc1c(F)c(F)c(F)c(F)c1C(=O)O
InChIKey: JKNZPDHVRYPABM-UHFFFAOYSA-N
分子式: C8H4F4O2
平均分子量: 208.11 g/mol

名称と識別子

優先名称: 2,3,4,5-Tetrafluoro-6-methylbenzoic acid
IUPAC: 2,3,4,5-tetrafluoro-6-methylbenzoic acid

名称と別名

2,3,4,5-tetrafluoro-6-methylbenzoic acid57612-65-4RefChem:441650978-891-9SCHEMBL2011531JKNZPDHVRYPABM-UHFFFAOYSA-N3,4,5,6-tetrafluoro-2-toluic acid6-methyl-2,3,4,5-tetrafluorobenzoic acid

データベース識別子

CAS: 57612-65-4
PubChem CID: 12943997
EC Number: 978-891-9

物性

構造計算による物性

XLogP: 2.2
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: 6
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 235

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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.