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2-フルオロジフェニル

2-Fluorobiphenyl

HCID 67579
ノート反応

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基本情報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
部分構造検索類似構造を探す

基本情報

CAS
321-60-8
標準SMILES
Fc1ccccc1-c1ccccc1
InChIKey
KLECYOQFQXJYBC-UHFFFAOYSA-N
分子式
C12H9F
平均分子量
172.2 g/mol
単同位体質量
172.06882845

名称と識別子

優先名称
2-Fluorobiphenyl
IUPAC
1-fluoro-2-phenylbenzene
現地名
2-フルオロジフェニル
英語名
2-Fluorobiphenyl
分子式
C12H9F
分子量
172.2

名称と別名

2-Fluorobiphenyl321-60-82-Fluoro-1,1'-biphenylo-FluorodiphenylBiphenyl, 2-fluoro-1,1'-Biphenyl, 2-fluoro-ortho-FluorodiphenylCCRIS 1659DTXSID5047744EINECS 206-290-7NSC 10366DTXCID5027728
名称をさらに表示
2-フルオロジフェニル2-フルオロ-1,1'-ビフェニル2-フルオロビフェニル2'-フルオロビフェニル2フルオロビフェニル2-フルオロビフェニル標準品2‐フルオロビフェニル2‐フルオロビフェニル標準品2-フルオロビフェニル 溶液2-フルオロビフェニル, 0.2 mg/mL in CH2Cl22-フルオロビフェニル, 2.0 mg/mL in CH2Cl2Fluorobiphenyl48722-u2-Fluorobiphen2-FLUORODIPHENYL2-fluoro-biphenyo-Fluorobiphenyl
oFluorodiphenylorthoFluorodiphenylBiphenyl, 2fluoroFluorobiphenyl, 22Fluoro1,1'biphenylRefChem:4726211,1'Biphenyl, 2fluoro206-290-7

データベース識別子

CAS
321-60-8
PubChem CID
67579
DTXSID
DTXSID5047744
ChEMBL
CHEMBL122521
UNII
KC8Q87V4QY
EC Number
206-290-7
Nikkaji
J27B

物性

構造計算による物性補完中

XLogP
4
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
1
重原子数
13
形式電荷
0
複雑度
149

実験および物理化学的性質

Density1.2452 at 77 °F (NTP, 1992) - Denser than water; will sink
Boiling Point478 °F at 760 mmHg (NTP, 1992)
Melting Point164.3 °F (NTP, 1992)
Physical Description · 2 件

2-fluorobiphenyl appears as colorless crystals.

Colorless solid; [CAMEO] Off-white crystalline powder; [Alfa Aesar MSDS]

Kovats Retention Index · 3 件

1346;232.03

1346;231.69;233.5

226.44

物理化学的性質

融点
71 · 71-74 °C (lit.)
沸点
248 °C · 248 °C (lit.)
比重(密度)
1 · 1,245 g/cm3
屈折率
1.5678 · 1.5678 (estimate)
闪点
248 °C · 248°C
貯蔵温度
Sealed in dry,Room Temperature
溶解性
Chloroform (Slightly), Methanol (Slightly)
外見
powder to crystal

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 · 6 件

This chemical does not meet GHS hazard criteria for 28.6% (2 of 7) of reports.

Danger

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (14.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (57.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (28.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (14.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 2 of 7 reports by companies.;There are 4 notifications provided by 5 of 7 reports by companies with hazard statement code(s).;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

DOT LabelClass 9
Fire Hazards · 1 件

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:;Some may burn but none ignite readily. Containers may explode when heated. Some may be transported hot. For UN3508, Capacitor, asymmetric, be aware of possible short circuiting as this product is transported in a charged state. Polymeric beads, expandable (UN2211) may evolve flammable vapours. (ERG, 2024)

化学と産業

用途と製造

General Manufacturing Information1,1'-Biphenyl, 2-fluoro-: ACTIVE
応用分野 · 3 件

用途有機合成原料。

使用2-Fluorobiphenyl is used as pharmaceuticals, veterinary drugs and organic synthesis intermediates. 2-Fluorobiphenyl was used as an internal standard for analysis of environmental pollutants in sediments using pressurized liquid extraction and gas chromatography-mass spectrometry, as a sole carbon & energy source for P. pseudoalcaligenes.

一般的な説明Colorless crystals.

上流・下流製品情報

上流原料

Methanesulfonic acid, 1,1,1-trifluoro-, [1,1'-biphenyl]-2-yl esterBenzenediazonium, 2-fluoro-, tetrafluoroborate(1-)フェニルトリアリルシラン4-ブロモ-2-フルオロビフェニルテトラフェニルほう酸ナトリウム

下流製品

フルルビプロフェン1-(2'-フルオロ-1,1'-ビフェニル-4-イル)エタノン

関連反応

23 件
反応記録を作成
HRID 98603 の反応式
HRID 98603反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 167660 の反応式
HRID 167660反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 173451 の反応式
HRID 173451反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 173636 の反応式
HRID 173636反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 264774 の反応式
HRID 264774反応物としてuspto-grants-1997_07
HRID 381831 の反応式
HRID 381831反応物としてuspto-grants-2001_10
HRID 808794 の反応式
HRID 808794反応物としてTest data from https://doi.org/10.1039/C8SC04228D
HRID 838238 の反応式
HRID 838238反応物としてTest data from https://doi.org/10.1039/C8SC04228D
1 / 3 ページ

化合物ノート

読み込み中…

このページの内容基本情報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
色
White to Light yellow
水溶解度
アルコール、エーテルに可溶。水に不溶。
BRN
2043175 · 2043175
安定性
安定。強力な酸化剤とは相容れない。可燃性。
InChI
1S/C12H9F/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKey
KLECYOQFQXJYBC-UHFFFAOYSA-N
SMILES
Fc1ccccc1-c2ccccc2
CAS データベース
321 · 321-60-8(CAS DataBase Reference)
NISTの化学物質情報
1 · 1,1'-Biphenyl, 2-fluoro-(321-60-8)
EPAの化学物質情報
2 · 2-Fluorobiphenyl (321-60-8)

化学的性質

化学的特性Off-white Crystalline powder

Health Hazards · 1 件

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:;Inhalation of material may be harmful. Contact may cause burns to skin and eyes. Inhalation of Asbestos dust may have a damaging effect on the lungs. Fire may produce irritating, corrosive and/or toxic gases. Some liquids produce vapors that may cause dizziness or asphyxiation. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024)

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Biphenyl.
Reactive GroupAryl Halides
Reactivity Profile · 1 件

Simple aromatic halogenated organic compounds, such as 2-FLUOROBIPHENYL, are very unreactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (14.3%);Skin Irrit. 2 (71.4%);Eye Dam. 1 (14.3%);Eye Irrit. 2 (57.1%);STOT SE 3 (71.4%);Aquatic Acute 1 (28.6%);Aquatic Chronic 1 (14.3%)

安全と保護具

Fire Fighting · 1 件

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)

First Aid · 1 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.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should protect this material from exposure to light, and store it in a refrigerator. (NTP, 1992)

Isolation and Evacuation · 1 件

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter.;RECOMMENDED GLOVE MATERIALS: Permeation data indicate that Viton gloves may provide protection to contact with this compound. Viton over latex gloves is recommended. However, if this chemical makes direct contact with your gloves, or if a tear, hole or puncture develops, remove them at once. (NTP, 1992)

毒性情報

EPA Provisional Peer-Reviewed Toxicity Values · 3 件

2-Fluorobiphenyl

PDF Document

2004

安全データ

wgk
3
tsca
TSCA listed
rtecs
DV5291000
ridadr
UN 1593 6.1/PG 3
hs_code
29036990
risk_code
36/37/38-63-43-23/24/25-45-40-50/53-41-37/38-22-52/53
hazard_code
Xi,T,Xn,N
safety_code
22-24/25-36/37/39-36/37-23-53-61-60-39-26
hazard_class
IRRITANT
ストレージクラス
11 - Combustible Solids

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