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フルオロベンゼン

Fluorobenzene

HCID 10008
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
462-06-6
標準SMILES
Fc1ccccc1
InChIKey
PYLWMHQQBFSUBP-UHFFFAOYSA-N
分子式
C6H5F
平均分子量
96.1 g/mol
単同位体質量
96.03752832

概要

Fluorobenzene appears as a clear, colorless liquid with a characteristic aromatic odor. About the same density as water. Flash point 5 °F. Vapors heavier than air. May irritate the skin, eyes, and mucous membranes. Used as an insecticide, larvacide and as a reagent for plastic or resin polymers.

名称と識別子

優先名称
Fluorobenzene
IUPAC
fluorobenzene
現地名
フルオロベンゼン
英語名
Fluorobenzene
分子式
C6H5F
分子量
96.1

名称と別名

FLUOROBENZENE462-06-6Phenyl fluorideMonofluorobenzeneBenzene, fluoro-FluorbenzolDTXSID4025329benzene fluorideEINECS 207-321-7NSC 68416G3TSZ68K12AI3-28560
名称をさらに表示
フルオロベンゼンフルオロベンゼン (1mg/mlメタノール溶液) [水質分析用内部標準]フロロベンゼンフルオロベンゼン標準原液フルオロベンゼン標準品フルオロベンゼン STANDARDフルオロベンゼン 溶液フルオロベンゼン Standard, 0.2 mg/mL in MeOHフルオロベンゼン Standard, 2.0 mg/mL in MeOHフルオロベンゼン Standard, 20 mg/mL in MeOHフルオロベンゼン, 0.15 mg/mL in MeOHフルオロベンゼン, 2.0 mg/mL in MeOHフルオロベンゼン, 99%1-フルオロベンゼンフェニルフルオリド4-フルオロベンゼン3-フルオロベンゼンPhenylfluorideFluorine benzenefluoro-benzen48943uorobenzeneFluorobenzenesbenzene,fluoro-
NSC-68416FLUOROBENZENE [MI]CHEBI:5115DTXCID305329EC 207-321-7benzene, fluoroRefChem:599417207-321-7

データベース識別子

CAS
462-06-6
PubChem CID
10008
DTXSID
DTXSID4025329
ChEMBL
CHEMBL16070
ChEBI
CHEBI:5115
UNII
G3TSZ68K12
EC Number
207-321-7
Nikkaji
J43.543K

物性

構造計算による物性

XLogP
2.3
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
7
形式電荷
0
複雑度
46.1

実験および物理化学的性質

Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Other Solvents
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.01
Density · 2 件

1.0225 at 68 °F (USCG, 1999) - Denser than water; will sink

1.024 @25 °C

Solubility1 to 10 mg/mL at 68 °F (NTP, 1992)
Flash Point5 °F (NTP, 1992)
Boiling Point · 2 件

185.2 °F at 760 mmHg (NTP, 1992)

85.2 °C @760 [mm Hg]

Melting Point · 2 件

-42.2 °F (NTP, 1992)

-40 °C

Vapor Density3.31 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure · 2 件

60 mmHg at 67.3 °F ; 100 mmHg at 86.7 °F (NTP, 1992)

77.2 [mmHg]

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 · 5 件

This chemical does not meet GHS hazard criteria for 0.7% (2 of 300) of reports.

Danger

H225 (99%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264+P265, P273, P280, P303+P361+P353, P305+P351+P338, P305+P354+P338, P317, P337+P317, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 300 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 · 4 件

Chemical: Benzene, fluoro-

REACH registered substance: Fluorobenzene (EC: 207-321-7)

Fluorobenzene: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid
Fire Hazards · 2 件

Special Hazards of Combustion Products: Burning in open flame can form toxic hydrogen fluoride gases.

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2 件

Irritating to skin, eyes and mucous membranes. Repeated exposure of skin may cause dermatitis due to defatting action. Chronic inhalation of vapors or mist may result to damage to lungs, liver and kidneys. Acute vapor exposures can cause symptoms ranging from coughing to transient anesthesia and central nervous system depression. (USCG, 1999)

· May cause toxic effects if inhaled or absorbed through skin.

Hazards Summary · 1 件

化学と産業

用途と製造

Uses · 2 件

Used to control carbon content in steel manufacturing, as an identification reagent for plastic and resin polymers, and as an intermediate for insecticides and larvicides; [NTP] Used as an intermediate for pharmaceuticals, pesticides, and other organic compounds; [EPA - PPRTV]

Steel Producing [Category: Industry]

General Manufacturing InformationBenzene, fluoro-: ACTIVE
応用分野 · 7 件

解説フルオロベンゼン (英: Fluorobenzene) とは、の一つの水素原子がフッ素に置換された構造を持つ分子式C6H5Fの有機化合物です。 CAS登録番号は、462-06-6です。分子量96.1、融点-44 ℃、沸点85℃であり、常温では無色もしくはうすい黄褐色の澄明な液体です。特異な臭いを呈する特徴があります。密度は1.025 g/mlです。エーテルと混和し、やには極めて溶けやすいものの、水にはほとんど溶けません。

用途大気中のベンゼン等揮発性有機化合物の測定におけるGC/MS測定の際の内部標準物質。

用途有機合成原料。

説明Fluorobenzene is a colourless, highly flammable liquid, stable and incompatible with oxidising agents. It is not compatible with oxidising agents such as perchlorates, peroxides, permanganates, chlorates, nitrates, chlorine, bromine and fluorine, ammonium nitrate, chromic acid, halogens, and nitric acid. It is used as an insecticide and as a reagent for plastic and resin polymers.

使用Fluorobenzene is used as a reagent for plastic or resin polymers. It acts as a solvent for highly reactive species. On fluorination of fluorobenzene it gives 1,2-difluorobenzene. It is also used as a material in making medicine.

一般的な説明A clear, colorless liquid with a characteristic aromatic odor. About the same density as water. Flash point 5°F. Vapors heavier than air. May irritate the skin, eyes, and mucous membranes. Used as an insecticide, larvacide and as a reagent for plastic or resin polymers.

使用用途フルオロベンゼンは、有機フッ素化合物原料として有用な化合物です。農薬や医薬品などの有機化合物の合成原料や抽出剤に使われています。 また、炭素-フッ素結合の強さのため、比較的不活性な化合物とされ、しばしば有機溶媒として利用されます。融点はベンゼン (5.5℃) より大幅に低いものの、沸点はほぼ変わらないことが特徴です。ただし、金属錯体に配位して結晶化させることがあるのでこの点は注意が必要です。

調製方法

関連反応

354 件
反応記録を作成
HRID 5809 の反応式
HRID 5809反応物としてuspto-grants-1993_09
HRID 26693 の反応式
HRID 26693反応物としてuspto-grants-1979_04
HRID 35300 の反応式
HRID 35300反応物としてuspto-grants-1988_08
HRID 35306 の反応式
HRID 35306反応物としてuspto-grants-1988_08
HRID 35312 の反応式
HRID 35312反応物としてuspto-grants-1988_08
HRID 35989 の反応式
HRID 35989反応物としてuspto-grants-1995_05
HRID 44441 の反応式
HRID 44441反応物としてuspto-grants-2013_09
HRID 65525 の反応式
HRID 65525反応物としてuspto-grants-1986_09
1 / 45 ページ

化合物ノート

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ノートを作成反応を作成見積依頼を出す
Physical Description · 2 件

Fluorobenzene appears as a clear, colorless liquid with a characteristic aromatic odor. About the same density as water. Flash point 5 °F. Vapors heavier than air. May irritate the skin, eyes, and mucous membranes. Used as an insecticide, larvacide and as a reagent for plastic or resin polymers.

Liquid with an odor of benzene; [Merck Index] Colorless liquid with an aromatic odor; [Alfa Aesar MSDS]

物理化学的性質

融点
-42 °C · -42 °C
沸点
85 °C · 85 °C(lit.)
比重(密度)
1.024 g/mL · 1.024 g/mL at 25 °C(lit.)
蒸気密度
3.31 · 3.31 (vs air)
蒸気圧
81 hPa · 81hPa at 20℃
屈折率
20 · n20/D 1.465(lit.)
闪点
9 °F · 9 °F
貯蔵温度
2 · 2-8°C
溶解性
1.54 g/リットル · 1.54g/リットル
外見
液体
色
無色透明
比重
1.024 · 1.024
爆発限界(explosive limit)
1.3 · 1.3-8.9%(V)
水溶解度
不溶性
比熱容量
1.52 J/ · Cp(liquid): 1.52 J/(g·K), at 25℃
Merck
14 · 14,4170
BRN
1236623 · 1236623
Henry's Law Constant
1.5 · 1.5×10-3 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant
4.7 · 4.7(60℃)
安定性
安定。酸化剤と相容れない。引火性が高い - 引火点が低いことに注意。
主な用途
環境
InChI
1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H
InChIKey
PYLWMHQQBFSUBP-UHFFFAOYSA-N
SMILES
Fc1ccccc1
LogP
2.27 at · 2.27 at 25℃
CAS データベース
462 · 462-06-6(CAS DataBase Reference)
NISTの化学物質情報
Benzene, fluoro-(462-06-6)
EPAの化学物質情報
Fluorobenzene (462-06-6)

化学的性質

化学的特性Fluorobenzene is a colorless liquid.

Causes general anesthesia in inhalation lethal-concentration studies of mice; [RTECS] A 28-day inhalation study of rats produced adaptive liver changes (not considered toxicologically significant), and increased fluoride concentrations in bones and teeth; Not likely to cause developmental toxicity or teratogenicity, based on software modeling and a structurally similar compound (chlorobenzene); [EPA ChAMP: Submissions - Submission] May cause smarting and reddening of skin if spilled and allowed to remain on clothes; Vapor exposure may cause coughing, transient anesthesia, and CNS depression; Chronic inhalation exposure may cause lung, liver, and kidney injury; [CHRIS] A skin, eye, nose, and throat irritant; [ToxPlanet: FAHG] An irritant; [NTP] A mild skin and strong eye irritant; Vapors may cause narcotic effects; [Alfa Aesar MSDS] See Chlorobenzene.

DOT ID and Guide2387 130
Reactive GroupAryl Halides
Reactivity AlertsHighly Flammable
Reactivity ProfileIncompatible with strong oxidizing agents. (NTP, 1992)
DOT Hazard Classification · 4 件

Fluorobenzene

UN2387

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

PG II: the degree of danger presented by the material is medium

Air and Water ReactionsHighly flammable. Slightly soluble in water.
Hazard Classes and Categories · 2 件

Flam. Liq. 2 (99%)

Flammable agents - 3rd degree

安全と保護具

Fire FightingExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Accidental Release Measures · 2 件

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Isolation and Evacuation · 2 件

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

Immediate precautionary measure

Protective Action Criteria (PAC) · 3 件

24 [mg/m3]

260 [mg/m3]

1600 [mg/m3]

Personal Protective Equipment (PPE)Organic vapor-acid gas respirator where appropriate; neoprene or vinyl gloves; chemical safety spectacles, plus face shield where appropriate; rubber footwear; apron or impervious clothing for splash protection; hard hat. (USCG, 1999)
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (rat) = 26,908 mg/m3
RAIS Toxicity Values · 2 件

0.03

SCREEN Current

EPA Provisional Peer-Reviewed Toxicity Values · 4 件

Fluorobenzene

PDF Document

Inadequate information to assess carcinogenic potential

2011

安全データ

wgk
2
tsca
TSCA listed
rtecs
DA0800000
ridadr
UN 2387
hs_code
29039990
risk_code
36/37/38-11-39/23/24/25-23/24/25-52/53-36
化審法
(9)-1232
安衛法
変異原性物質
消防法
危-4-1-II
hazard_code
F,Xi,T
hazard_note
Flammable
safety_code
16-26-36-7-33-29-45-36/37-61-7/9
hazard_class
3
packing_group
II
Hazard Classifications
Aquatic Chronic 2Eye Dam. 1Flam. Liq. 2
ストレージクラス
3 - Flammable liquids

純化方法Dry fluorobenzene for several days with P2O5, then fractionally distil it. [Beilstein 5 H 198, 5 IV 632.]

上流・下流製品情報

上流原料

一酸化炭素シクロヘキサンTRIFLUOROACETIC ANHYDRIDE 10X1MLNitrobenzene亜硝酸ナトリウムホウフッ化水素酸アニリンフッ化水素酸

下流製品

フルバスタチンナトリウム水和物4-フルオロベンゼンチオール2-(ジメチルアミノ)-1-(4-モルホリノフェニル)-2-ベンジル-1-ブタノン4-フルオロニトロベンゼン2,4'-ジフルオロベンゾフェノン塩酸フルナリジンフルベンダゾール4,4'-ジフルオロベンゾフェノン2-クロロ-4'-フルオロ[1,1'-カルボニルビスベンゼン]2,4-ジクロロフルオロベンゼン2',4'-ジクロロ-5'-フルオロアセトフェノン6-[4-(1H-イミダゾール-1-イル)フェニル]-4,5-ジヒドロピリダジン-3(2H)-オンハロペリドールペンフルリドールフルシラゾールシサプリド4-ブロモフルオロベンゼン3-(4-フルオロベンゾイル)プロピオン酸4-フルオロ-3-フェノキシベンズアルデヒド3-クロロ-4-フルオロニトロベンゼン

補足説明

定義ChEBI: The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent.