Pentafluorobenzyl bromide (HCID 74484)

名称と識別子

優先名称: Pentafluorobenzyl bromide
IUPAC: 1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene
現地名: ペンタフルオロベンジルブロミド
英語名: α-Bromo-2,3,4,5,6-pentafluorotoluene
分子式: C7H2BrF5
分子量: 260.99

名称と別名

1765-40-8Pentafluorobenzyl bromide(Bromomethyl)pentafluorobenzeneBENZENE, (BROMOMETHYL)PENTAFLUORO-PFBBRV5VL554GFPNSC-96888DTXSID50170146RefChem:859805DTXCID8092637217-182-42,3,4,5,6-Pentafluorobenzyl bromide

名称をさらに表示

ペンタフルオロベンジルブロミド2,3,4,5,6-ペンタフルオロ-1-(ブロモメチル)ベンゼン1-(ブロモメチル)-2,3,4,5,6-ペンタフルオロベンゼン1,2,3,4,5-ペンタフルオロ-6-(ブロモメチル)ベンゼン[(ペンタフルオロフェニル)メチル]ブロミド(ペンタフルオロフェニル)メチルブロミド1-ブロモメチル-2,3,4,5,6-ペンタフルオロベンゼン2,3,4,5,6-ペンタフルオロ-α-ブロモトルエンα-ブロモ-2,3,4,5,6-ペンタフルオロトルエン2,3,4,5,6-ペンタフルオロベンジルブロミド臭化2,3,4,5,6-ペンタフルオロベンジル臭化物臭化ペンタフルオロベンジルΑ‐ブロモ‐2,3,4,5,6‐ペンタフルオロトルエン臭化2,3,4,5,6-ペンタフルオロベンジル(2,3,4,5,6-ペンタフルオロベンジル)ブロミドPentafluorobenzylbromide99%PentafluorobenzylBromide>Pentafluorobenzylbromide,98+%Pentafluorobenzyl bromide 99%PENTAFLUOROBROMOMETHYL BENZENE

1-(Bromomethyl)-2,3,4,5,6-pentafluorobenzenealpha-Bromo-2,3,4,5,6-pentafluorotoluene1-BromomethylpentafluorobenzeneBENZENE, 1-(BROMOMETHYL)-2,3,4,5,6-PENTAFLUORO-2,3,4,5,6-pentafluorobenzylbromidepentafluorobenzylbromideMFCD00000299Toluene, alpha-bromo-2,3,4,5,6-pentafluoro-

データベース識別子

CAS: 1765-40-8
PubChem CID: 74484
DTXSID: DTXSID50170146
ChEBI: CHEBI:192780
UNII: V5VL554GFP
EC Number: 217-182-4
Nikkaji: J104.951H

物性

構造計算による物性

XLogP: 3
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 162

実験および物理化学的性質

Physical DescriptionColorless liquid; mp = 18-20 deg C; [Alfa Aesar MSDS]

Kovats Retention Index991

物理化学的性質

融点: 19 · 19-20 °C(lit.)
沸点: 174 · 174-175 °C(lit.)
比重(密度): 1.728 g/mL · 1.728 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.471(lit.)
闪点: 181 °F · 181 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: Chloroform (Soluble), Ethyl Acetate (Slightly), Methanol (Slightly)
外見: 液体
比重: 1.728 · 1.728
色: 無色透明～黄色
水溶解度: 水中で加水分解します。
BRN: 647808 · 647808
InChI: 1S/C7H2BrF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2
InChIKey: XDEPVFFKOVDUNO-UHFFFAOYSA-N
SMILES: Fc1c(F)c(F)c(CBr)c(F)c1F
CAS データベース: 1765 · 1765-40-8(CAS DataBase Reference)
NISTの化学物質情報: Benzene, (bromomethyl)pentafluoro-(1765-40-8)

化学的性質

化学的特性CLEAR COLOURLESS TO YELLOWISH LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (96.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H319 (12.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (12.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 9 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.

危険有害性情報

Regulatory Information · 2 件

Chemical: Benzene, (bromomethyl)pentafluoro-

2,3,4,5,6-Pentafluorobenzylbromide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryHydrolyzed by water; Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Hexafluorobenzene.

Hazard Classes and CategoriesSkin Corr. 1B (96.4%)；Eye Irrit. 2 (12.7%)；STOT SE 3 (12.7%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.；Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

法規制情報

Regulatory Information · 2 件

Chemical: Benzene, (bromomethyl)pentafluoro-

2,3,4,5,6-Pentafluorobenzylbromide: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 19
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29039990
risk_code: 34-36/37/38-36/37-22
消防法: 危-4-3-III
hazard_code: C,Xi
hazard_note: Irritant/Lachrymatory
safety_code: 26-36/37/39-45-23-27
hazard_class: 8
packing_group: II
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 3 件

用途有機合成用試薬。

使用Pentafluorobenzyl bromide (PFB-Br) is an alkylating reagent which can be used to modify hydroxyl groups, carboxyl groups, sulfhydryl groups, and amines.PFB-Br can also be used to measure nitrite and peroxynitrite.It is a versatile reagent.

一般的な説明Pentafluorobenzyl bromide (PFB-Br) is a derivatization reagent. Excess reagent may be removed by reaction with an aminophenol. It is an alkylation reagent suitable for electron capture detector (ECD) detection. It is also a lachrymator.