CAS 700381-18-6 5-Fluoro-2-methoxybenzyl bromide (HCID 20111745)

基本情報

CAS: 700381-18-6
標準SMILES: COc1ccc(F)cc1CBr
InChIKey: LXUGHXUXEMUEKR-UHFFFAOYSA-N
分子式: C8H8BrFO
平均分子量: 219.05 g/mol
単同位体質量: 217.97426

名称と識別子

優先名称: 5-Fluoro-2-methoxybenzyl bromide
IUPAC: 2-(bromomethyl)-4-fluoro-1-methoxybenzene
現地名: 5-フルオロ-2-メトキシベンジルブロミド
英語名: 5-Fluoro-2-methoxybenzyl bromide 97
分子式: C8H8BrFO
分子量: 219.05

名称と別名

5-Fluoro-2-methoxybenzyl bromideRefChem:535818679-174-0700381-18-62-(bromomethyl)-4-fluoro-1-methoxybenzeneMFCD006717692-bromomethyl-4-fluoro-1-methoxybenzene5-FLUORO-2-METHOXYBENZYL BROMIDE 972-Methyloxy-5-fluorobenzyl bromideSCHEMBL1663130SCHEMBL30200200DTXSID60602584

名称をさらに表示

5-フルオロ-2-メトキシベンジルブロミド2-Bromomethyl-4-fluoro-anisole5-Fluoro-2-methoxybenzyl bromide 97%5-Fluoro-2-methoxybenzyl bromide, 98+%Benzene, 2-(bromomethyl)-4-fluoro-1-methoxy-2-(Bromomethyl)-4-fluoroanisole, 2-(Bromomethyl)-4-fluoro-1-methoxybenzene, alpha-Bromo-5-fluoro-2-methoxytoluene

LXUGHXUXEMUEKR-UHFFFAOYSA-NCK2017SBB095700AKOS005254292CS-W007038DS-61282-Bromomethyl-4-fluoro-1-methoxy-benzene2-(bromomethyl)-4-fluoro-1-methoxy-benzene

データベース識別子

CAS: 700381-18-6
PubChem CID: 20111745
DTXSID: DTXSID60602584
EC Number: 679-174-0

物性

構造計算による物性

XLogP: 2.6
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 121

物理化学的性質

融点: 60 · 60-62°C
沸点: 237 ℃ · 237℃
比重(密度): 1.488 · 1.488
闪点: 116 ℃ · 116℃
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: solid
色: Light beige

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]

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

Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.

安全データ

ridadr: UN3261
hs_code: 2909309090
hazard_code: C
hazard_note: Corrosive/Lachrymatory
hazard_class: 8
packing_group: III

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化合物ノート

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