4-Fluorobenzyl bromide (HCID 68021)

名称と識別子

優先名称: 4-Fluorobenzyl bromide
IUPAC: 1-(bromomethyl)-4-fluorobenzene
現地名: 4-フルオロベンジルブロミド
英語名: 4-Fluorobenzyl bromide
分子式: C7H6BrF
分子量: 189.02

名称と別名

4-Fluorobenzyl bromideBenzene, 1-(bromomethyl)-4-fluoro-alpha-Bromo-4-fluorotoluenealpha-Bromo-p-fluorotolueneGKL3GW5GWHToluene, .alpha.-bromo-p-fluoro-.alpha.-Bromo-4-fluorotolueneDTXSID8060032RefChem:99007Toluene, alpha-bromo-p-fluoro-DTXCID1040453NVNPLEPBDPJYRZ-UHFFFAOYSA-N

名称をさらに表示

4-フルオロベンジルブロミド1-フルオロ-4-(ブロモメチル)ベンゼン1-(ブロモメチル)-4-フルオロベンゼン4-フルオロ-1-(ブロモメチル)ベンゼン1-ブロモメチル-4-フルオロベンゼンp-フルオロベンジルブロミド4フルオロベンジルブロミド臭化4-フルオロベンジル臭化4‐フルオロベンジル臭化4-フルオロベンジル, 98%Of fluoride broMide4-Fluorobenzyl bromiα-Bromo-4-fluorotoluene1-bromo-3-fluorotolueneà-bromo-4-fluorotoluene4-FLUOROBBENZYL BROMIDEA-BROMO-4-FLUOROTOLUENE

459-46-11-(Bromomethyl)-4-fluorobenzenep-Fluorobenzyl bromide4-fluorobenzylbromide1-(bromomethyl)-4-fluoro-benzeneMFCD00000359PARA-FLUOROBENZYL BROMIDE4-(bromomethyl)-1-fluorobenzene

データベース識別子

CAS: 459-46-1
PubChem CID: 68021
DTXSID: DTXSID8060032
UNII: GKL3GW5GWH
EC Number: 207-291-5
Nikkaji: J196.175F

物性

構造計算による物性

XLogP: 2.8
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 77

物理化学的性質

沸点: 85 °C15 · 85 °C15 mm Hg(lit.)
比重(密度): 1.517 g/mL · 1.517 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.547(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: soluble in Chloroform
外見: 液体
比重: 1.517 · 1.517
色: 無色透明～黄色
BRN: 636507 · 636507
InChI: 1S/C7H6BrF/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2
InChIKey: NVNPLEPBDPJYRZ-UHFFFAOYSA-N
SMILES: Fc1ccc(CBr)cc1
CAS データベース: 459 · 459-46-1(CAS DataBase Reference)
NISTの化学物質情報: -4 · «alpha»-Bromo-4-fluorotoluene(459-46-1)
EPAの化学物質情報: 4 · 4-Fluorobenzyl bromide (459-46-1)

化学的性質

化学的特性Colorless to light yellow liqui

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 82 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationBenzene, 1-(bromomethyl)-4-fluoro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29039990
risk_code: 34-36
消防法: 危-4-3-III
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1-(bromomethyl)-4-fluoro-: INACTIVE

応用分野

用途有機合成原料。

使用4-Fluorobenzyl Bromide is a substituted benzyl bromide reagent used in the preparation of wide range of biologically active compounds such as bronchodialators, neurochemicals and antibacterials.