4-フルオロビフェニル

4-Fluorobiphenyl

HCID 9461CAS 324-74-3

部分構造検索類似構造を探す

基本情報

標準SMILES: Fc1ccc(-c2ccccc2)cc1
InChIKey: RUYZJEIKQYLEGZ-UHFFFAOYSA-N
分子式: C12H9F
平均分子量: 172.2 g/mol
単同位体質量: 172.06882851

名称と識別子

優先名称: 4-Fluorobiphenyl
IUPAC: 1-fluoro-4-phenylbenzene
現地名: 4-フルオロビフェニル
英語名: 4-Fluoro-1,1'-biphenyl
分子式: C12H9F
分子量: 172.2

名称と別名

4-FLUOROBIPHENYL324-74-3DTXSID00186111RefChem:99010DTXCID10108602206-304-14-Fluoro-1,1'-biphenylp-Fluorodiphenyl1-fluoro-4-phenylbenzene4-Fluoro-1,1-biphenyl4-Fluoro-1,1'-diphenylBiphenyl, 4-fluoro-

名称をさらに表示

4-フルオロビフェニル4-フルオロ-1,1'-ビフェニル4フルオロビフェニル1,1′-ビフェニル-4-イルフルオリド4-フルオロ-1,1′-ビフェニルF-BIPHENYL4-Fuorobiphenyl4-fluoro-bipheny4-FLUORODIPHENYLpara-fluorobiphenyl4-Fluorobiphenyl>

1,1'-Biphenyl, 4-fluoro-1-FLUORO-4-PHENYL-BENZENEp-FluorobiphenylMFCD000116504-fluoro-1-phenylbenzene4-Fluoro-biphenyl4-Flurobiphenyl4'-Fluorobiphenyl

データベース識別子

CAS: 324-74-3
PubChem CID: 9461
DTXSID: DTXSID00186111
ChEMBL: CHEMBL122439
EC Number: 206-304-1
Nikkaji: J102.380B

物性

構造計算による物性

XLogP: 4.1
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: 13
形式電荷: 0
複雑度: 141

実験および物理化学的性質

PolymersOther Classes -> Halogenated Polyaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Endocrine DisruptorsPotential endocrine disrupting compound

Vapor Pressure0.00901 [mmHg]

Physical DescriptionWhite or light brown crystalline solid; [Alfa Aesar MSDS]

物理化学的性質

融点: 75 · 75-79 °C (lit.)
沸点: 283 · 283-284 °C (lit.)
比重(密度): 1.288 g/mL · 1.288 g/mL (lit.)
屈折率: 20 · n20/D 1.5200(lit.)
闪点: 230 °F · >230 °F
溶解性: soluble in Methanol
外見: powder to crystal
色: White to Light yellow
水溶解度: 不溶性
BRN: 2042410 · 2042410
InChI: InChI=1S/C12H9F/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey: RUYZJEIKQYLEGZ-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)=CC=C(F)C=C1
CAS データベース: 324 · 324-74-3(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1,1'-Biphenyl, 4-fluoro-(324-74-3)

化学的性質

化学的特性White to pink solid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryMay cause irritation; See Biphenyl.

Hazard Classes and CategoriesAcute Tox. 4 (20%)

安全データ

wgk: 3
rtecs: DV5291200
hs_code: 29039990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-24/25
hazard_class: IRRITANT
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

一般的な説明4-Fluorobiphenyl is a fluorinated biphenyl compound. It undergoes biochemical degradation in the presence of various mycorrhizal fungi to afford 4-fluorobiphen-4′-ol and 4-fluorobiphen-3′-ol as major products.