2-フルオロベンゾニトリル

2-Fluorobenzonitrile

HCID 67855CAS 394-47-8
部分構造検索類似構造を探す

基本情報

標準SMILES
N#Cc1ccccc1F
InChIKey
GDHXJNRAJRCGMX-UHFFFAOYSA-N
分子式
C7H4FN
平均分子量
121.11 g/mol
単同位体質量
121.03277735

名称と識別子

優先名称
2-Fluorobenzonitrile
IUPAC
2-fluorobenzonitrile
現地名
2-フルオロベンゾニトリル
英語名
2-Fluorobenzonitrile
分子式
C7H4FN
分子量
121.11

名称と別名

2-FluorobenzonitrileBenzonitrile, 2-fluoro-EINECS 206-897-7NSC 88278DTXSID60599422-FLUORO-BENZOIC ACID-NITRILERefChem:87149DTXCID1039630206-897-7GDHXJNRAJRCGMX-UHFFFAOYSA-NInChI=1/C7H4FN/c8-7-4-2-1-3-6(7)5-9/h1-4394-47-8
名称をさらに表示
2-フルオロベンゾニトリル1-フルオロ-2-シアノベンゼンo-フルオロベンゾニトリルフルオロベンゾニトリル２フルオロベンゾニトリル2‐フルオロベンゾニトリル2-FBNuorobenzonitriL2-fluoronitrile2-FluorbenzonitrilO-Fluorobenzonitile2-Fluorocyanobenzene
o-Fluorobenzonitrileo-Cyanofluorobenzene2-CyanofluorobenzeneBenzonitrile, o-fluoro-MFCD000017732-fluorobenzenenitrilefluorobenzonitrile2-fluorobenzenecarbonitrile

データベース識別子

CAS
394-47-8
PubChem CID
67855
DTXSID
DTXSID6059942
UNII
C2EJ9H4G6R
EC Number
206-897-7
Nikkaji
J149.718I

物性

構造計算による物性

XLogP
1.5
極性表面積
23.8 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
0
重原子数
9

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

物理化学的性質

融点
-13.7 °C · -13.7 °C
沸点
90 °C21 · 90 °C21 mm Hg(lit.)
比重(密度)
1.116 g/mL · 1.116 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.505(lit.)
闪点
165 °F · 165 °F
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationChemical: Benzonitrile, 2-fluoro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk
3
tsca
TSCA listed
ridadr
3276
hs_code
29269095
risk_code
22-37/38-41-36/37/38-20/21/22
消防法
危-4-3-III

化学と産業

用途と製造

General Manufacturing InformationBenzonitrile, 2-fluoro-: INACTIVE
応用分野 · 3 件

使用2-Fluorobenzonitrile, also known as o-fluorobenzonitrile, is an organic aromatic fluoride. It has a wide range of applications in pharmaceuticals, pesticides, dyestuffs, etc. In the field of dyestuff, the introduction of fluorine atom makes the dyed products bright and colorful and less likely to fade, among other advantages.

使用2-Fluorobenzonitrile was used in the synthesis of :3-amino-1,2-benzisoxazoles6-(acetylaminomethyl)-3-amino-1,2-benzisoxazole5-(4′-methyl [1, 1′-biphenyl]-2-yl)-1H-tetrazolexanthone-iminium triflates

一般的な説明2-Fluorobenzonitrile reacts with lithium N,N-dialkylaminoborohydride reagent to yield 2-(N,N-dialkylamino)benzylamines.

上流・下流製品情報

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北博杰生物科技有限公司0713-2060728 15629612610
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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