1-(Bromomethyl)-3-fluoro-5-nitrobenzene

HCID 64770545

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 883987-75-5
標準SMILES: O=[N+]([O-])c1cc(F)cc(CBr)c1
InChIKey: PKGNYGZIPJHZPG-UHFFFAOYSA-N
分子式: C7H5BrFNO2
平均分子量: 234.02 g/mol
単同位体質量: 232.94877

名称と識別子

優先名称: 1-(Bromomethyl)-3-fluoro-5-nitrobenzene
IUPAC: 1-(bromomethyl)-3-fluoro-5-nitrobenzene
英語名: 3-Fluoro-5-nitrobenzyl bromide
分子式: C7H5BrFNO2
分子量: 234.02

名称と別名

883987-75-51-(bromomethyl)-3-fluoro-5-nitrobenzeneRefChem:427288969-852-73-fluoro-5-nitrobenzyl bromideMFCD131856233-fluoro-5-nitrobenzylbromideBenzene, 1-(bromomethyl)-3-fluoro-5-nitro-SCHEMBL1098949PKGNYGZIPJHZPG-UHFFFAOYSA-NIKB98775AKOS014098893

名称をさらに表示

AT11185PS-98581-(bromomethyl)-3-fluoro-5-nitro-benzeneDB-294280F836487

データベース識別子

CAS: 883987-75-5
PubChem CID: 64770545
EC Number: 969-852-7

物性

構造計算による物性

XLogP: 2.4
極性表面積: 45.8 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 173

物理化学的性質

外見: crystalline solid
色: Pale khaki lemon to faint tan, mushy

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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.