3-Fluoro-4-nitrobenzyl alcohol

HCID 2774658

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 503315-74-0
標準SMILES: O=[N+]([O-])c1ccc(CO)cc1F
InChIKey: FEMLPDPJKINFGA-UHFFFAOYSA-N
分子式: C7H6FNO3
平均分子量: 171.13 g/mol
単同位体質量: 171.03317122

名称と識別子

優先名称: 3-Fluoro-4-nitrobenzyl alcohol
IUPAC: (3-fluoro-4-nitrophenyl)methanol
英語名: 3-Fluoro-4-nitrobenzyl alcohol 99%
分子式: C7H6FNO3
分子量: 171.13

名称と別名

3-Fluoro-4-nitrobenzyl alcoholRefChem:501799640-245-6(3-fluoro-4-nitrophenyl)methanol503315-74-0(3-Fluoro-4-nitro-phenyl)-methanolBenzenemethanol, 3-fluoro-4-nitro-MFCD030942363-Fluoro-4-nitro-benzenemethanol3-Fluoro-4-nitrobenzylalcohol99%SY239161(3-fluoro-4-nitro-phenyl)methanol

名称をさらに表示

Structure(3-Fluoro-4-nitrophenyl)3-Fluoro-4-nitrobenzenemethanol3-Fluoro-4-nitrobenzylalcohol98%3-Fluoro-4-nitrobenzyl alcohol 99%3-Fluoro-4-nitrobenzyl alcohol 99%3-Fluoro-4-nitrobenzyl alcohol, 96% (Cu

SCHEMBL571701SCHEMBL169589963-fluoro 4-nitro benzyl alcoholDTXSID50379157FEMLPDPJKINFGA-UHFFFAOYSA-NSBB088480(3-fluoro-4-nitrophenyl)methan-1-ol(3-Fluoro-4-nitrophenyl)methanol, 2-Fluoro-4-(hydroxymethyl)nitrobenzene

データベース識別子

CAS: 503315-74-0
PubChem CID: 2774658
DTXSID: DTXSID50379157
EC Number: 640-245-6

物性

構造計算による物性

XLogP: 1
極性表面積: 66.1 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: 12
形式電荷: 0
複雑度: 171

物理化学的性質

沸点: 328.6 · 328.6±27.0 °C(Predicted)
比重(密度): 1.434 · 1.434
貯蔵温度: Sealed in dry,Room Temperature
外見: Solid
酸解離定数(Pka): 13.27 · 13.27±0.10(Predicted)

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)

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