Methyl 4-[(diethoxyphosphoryl)methyl]-3-fluorobenzoate

HCID 23498922
ノート反応
部分構造検索類似構造を探す

基本情報

CAS
158559-76-3
標準SMILES
CCOP(=O)(Cc1ccc(C(=O)OC)cc1F)OCC
InChIKey
BNAFOHSNCMFBOU-UHFFFAOYSA-N
分子式
C13H18FO5P
平均分子量
304.25 g/mol
単同位体質量
304.08758883

名称と識別子

優先名称
Methyl 4-[(diethoxyphosphoryl)methyl]-3-fluorobenzoate
IUPAC
methyl 4-(diethoxyphosphorylmethyl)-3-fluorobenzoate

名称と別名

158559-76-3methyl 4-[(diethoxyphosphoryl)methyl]-3-fluorobenzoateMethyl 4-((diethoxyphosphoryl)methyl)-3-fluorobenzoateRefChem:815791996-663-7methyl 4-(diethoxyphosphorylmethyl)-3-fluorobenzoatemethyl 4-(diethoxyphosphorylmethyl)-3-fluoro-benzoateC13H18FO5PSCHEMBL4311343BNAFOHSNCMFBOU-UHFFFAOYSA-NAKOS027324998EN300-226031
名称をさらに表示
diethyl 2-fluoro-4-carbomethoxybenzylphosphonateMethyl 4-(diethoxyphosphorylmethyl)-3-fluorobenzenecarboxylate

データベース識別子

CAS
158559-76-3
PubChem CID
23498922
EC Number
996-663-7

物性

構造計算による物性

XLogP
1.7
極性表面積
61.8 Ų
水素結合供与体数
0
水素結合受容体数
6
回転可能結合数
8
重原子数
20

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

関連反応

3 件
反応記録を作成

化合物ノート

読み込み中…