HCID2733970

2,4,5-Trifluoro-3-methoxybenzoic acid

C8H5F3O3206.12 g/molCAS 112811-65-1

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: COc1c(F)c(F)cc(C(=O)O)c1F
InChIKey: YVJHZWWMKFQKDC-UHFFFAOYSA-N
分子式: C8H5F3O3
平均分子量: 206.12 g/mol
单同位素质量: 206.0190785

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 46.5 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 224

GHS

GHS分类

GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): 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 46 reports by companies from 6 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.

HAZARDS

危害信息

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

ALIASES

名称与别名

共 35 条

2,4,5-Trifluoro-3-methoxybenzoic acid112811-65-1RefChem:82023622-891-03-methoxy-2,4,5-trifluorobenzoic acid11281-65-52,4,5-trifluoro-3-methoxy-benzoic AcidMFCD001532012,4,5-tris(fluoranyl)-3-methoxy-benzoic acidMoxidectin Impurity 52,4,5-Trifluoro-m-anisic AcidMoxifloxacin Impurity 452,4,5-trifluoro-3-methoxy benzoic acidBenzoic acid, 2,4,5-trifluoro-3-methoxy-SYASCHEMBL607945YVJHZWWMKFQKDC-UHFFFAOYSA-NDTXSID901286858Moxifloxacin Impurity cent currencySBB063543

REACTIONS

相关反应

20 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07094780B1

查看

uspto-grants-1996_06 · 10.6084/m9.figshare.5104873.v1 · US05523476

查看

uspto-grants-1996_06 · 10.6084/m9.figshare.5104873.v1 · US05523476

查看

uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05648504

查看

uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05648504

查看

uspto-grants-1991_03 · 10.6084/m9.figshare.5104873.v1 · US04997943

查看

uspto-grants-1991_03 · 10.6084/m9.figshare.5104873.v1 · US04997943

查看

uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07582627B2

查看