4-ブロモフルオロベンゼン
1-Bromo-4-fluorobenzene
基本情報
- CAS
460-00-4- 標準SMILES
Fc1ccc(Br)cc1- InChIKey
AITNMTXHTIIIBB-UHFFFAOYSA-N- 分子式
- C6H4BrF
- 平均分子量
- 175 g/mol
- 単同位体質量
- 173.94804
概要
1-bromo-4-fluorobenzene is a colorless liquid. (NTP, 1992)
名称と識別子
- 優先名称
- 1-Bromo-4-fluorobenzene
- IUPAC
- 1-bromo-4-fluorobenzene
- 現地名
- 4-ブロモフルオロベンゼン
- 英語名
- 4-Bromofluorobenzene
- 分子式
- C6H4BrF
- 分子量
- 175
名称と別名
1-Bromo-4-fluorobenzene4-Bromofluorobenzene460-00-44-Fluorobromobenzenep-Bromofluorobenzenep-Fluorobromobenzene4-Fluorophenyl bromideBenzene, 1-bromo-4-fluoro-1-Fluoro-4-bromobenzene4-Fluoro-1-bromobenzenep-Fluorophenyl bromide4-bromo-1-fluorobenzene
名称をさらに表示
4-ブロモフルオロベンゼン4-ブロモフルオロベンゼン (1mg/mlメタノール溶液) [水質分析用内部標準]p-ブロモフルオロベンゼン1-フルオロ-4-ブロモベンゼン(4-フルオロフェニル)ブロミドp-フルオロブロモベンゼン1-ブロモ-4-フルオロベンゼン4-ブロモ-1-フルオロベンゼン4-フルオロフェニルブロミド4-フルオロ-1-ブロモベンゼン4-ブロモフェニルフルオリドpブロモフロロベンゼン1-ブロモ-4-フルオロベンゼン 臭化物p-ブロモ フロロベンゼン4‐ブロモフルオロベンゼン4‐ブロモフルオロベンゼン標準原液4-フルオロブロモベンゼン1-ブロモ-4-フルオロベンゼン 溶液p-ブロモフルオロベンゼン, 100 µg/mL in Acetonep-ブロモフルオロベンゼン, 2.0 mg/mL in MeOHBFBPBFB4-BROMO FLUORO BENZENPARA FLUORO BROMO BENZENEnsc10268p-BrF-Ph
DTXSID4027153A7ZH69I3KH4-BROMOPHENYL FLUORIDENSC-9460NSC-10268P-BROMOPHENYL FLUORIDE4-FLUOROBENZENE BROMIDECHEBI:141551
データベース識別子
- CAS
460-00-4- PubChem CID
- 9993
- DTXSID
DTXSID4027153- ChEMBL
CHEMBL1876826- ChEBI
CHEBI:141551- UNII
- A7ZH69I3KH
- EC Number
- 207-300-2
- Nikkaji
- J37.677I
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 0 Ų
- 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
- 0
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 66.9
実験および物理化学的性質
Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density
1.4946 at 68 °F (NTP, 1992) - Denser than water; will sink
1.593 @ 15°C
Flash Point140 °F (NTP, 1992)
Boiling Point
306 °F at 764 mmHg (NTP, 1992)
151.5 °C @760 [mm Hg]
Melting Point
18 °F (NTP, 1992)
-17.4 °C
Vapor Pressure2.84 [mmHg]
Physical Description
1-bromo-4-fluorobenzene is a colorless liquid. (NTP, 1992)
Colorless to slightly yellow liquid; [NTP] Colorless liquid with an aromatic odor; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- 16 °C · −16 °C(lit.)
- 沸点
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1.2% (2 of 161) of reports.
Warning
H226 (98.8%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 161 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Benzene, 1-bromo-4-fluoro-
SP - indicates a substance that is identified in a proposed Significant New Use Rule.
REACH registered substance: 1-bromo-4-fluorobenzene (EC: 207-300-2)
1-Bromo-4-fluorobenzene: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsACUTE/CHRONIC HAZARDS: Irritant. (NTP, 1992)
Hazards Summary
A skin and eye irritant in rabbits; A mild skin sensitizer in guinea pigs (20% sensitization rate in the Magnusson and Kligman test); Acute oral and inhalation studies of rats produced tremor, changes in motor activity, ataxia, and/or dyspnea; Structurally similar compounds are hepatotoxins and animal carcinogens; [NTP] A mild skin and strong eye irritant; Harmful by inhalation; [Alfa Aesar MSDS] See p-Dichlorobenzene.
Reactive GroupAryl Halides
化学と産業
用途と製造
UsesUsed as an intermediate for agrochemicals, in organic syntheses, and as a tuning, internal, or surrogate standard for gas chromatography/mass spectrometry in the determination of volatile organic compounds; [NTP]
General Manufacturing InformationBenzene, 1-bromo-4-fluoro-: ACTIVE
応用分野
用途有機合成原料。
使用4-Bromofluorobenzene is a dihalogenated benzene used in the preparation of pharmaceutical compounds such as atypical antipsychotic agents.
一般的な説明Colorless liquid.
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