2-フルオロ-6-ヒドロキシベンゾニトリル

2-Fluoro-6-hydroxybenzonitrile

HCID 2783216

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基本情報

CAS: 140675-43-0
標準SMILES: N#Cc1c(O)cccc1F
InChIKey: YEBHNFDMNFHZFF-UHFFFAOYSA-N
分子式: C7H4FNO
平均分子量: 137.11 g/mol
単同位体質量: 137.02769197

名称と識別子

優先名称: 2-Fluoro-6-hydroxybenzonitrile
IUPAC: 2-fluoro-6-hydroxybenzonitrile
現地名: 2-フルオロ-6-ヒドロキシベンゾニトリル
英語名: 2-Fluoro-6-hydroxybenzonitrile
分子式: C7H4FNO
分子量: 137.11

名称と別名

2-fluoro-6-hydroxybenzonitrile140675-43-02-Cyano-3-FluorophenolDTXSID00382515RefChem:472534DTXCID80333540642-487-86-fluorosalicylonitrileBenzonitrile, 2-fluoro-6-hydroxy-2-Fluoro-6-hydroxy-benzonitrileMFCD034285926-Fluoro-2-hydroxybenzonitrile

名称をさらに表示

2-フルオロ-6-ヒドロキシベンゾニトリル2-シアノ-3-フルオロフェノール2-フルオロ-6-ヒドロキシベンゾニトリル, 99%2-fuoro-6-hydroxybenzonitrle2-Fluoro-6-hydroxybenzonitrile >2-Fluoro-6-hydroxybenzonitrile 99%2-FLUORO-6-HYDROXYBENZONITRILE,98+%Benzonitrile, 2-fluoro-6-hydroxy- (9CI)

CL8166F0985EN300-433172-FLUORO-6-HYDROXYBENZONITRLEFT-0643319SCHEMBL309782-hydroxy-6-fluorobenzonitrileSCHEMBL3154084

データベース識別子

CAS: 140675-43-0
PubChem CID: 2783216
DTXSID: DTXSID00382515
EC Number: 642-487-8
Nikkaji: J1.092.459F

物性

構造計算による物性

XLogP: 1.9
極性表面積: 44 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 162

物理化学的性質

融点: 156 · 156-158°C
沸点: 257.5 · 257.5±25.0 °C(Predicted)
比重(密度): 1.34 · 1.34±0.1 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 6.17 · 6.17±0.10(Predicted)
色: White to Light yellow
BRN: 8403914 · 8403914
InChI: InChI=1S/C7H4FNO/c8-6-2-1-3-7(10)5(6)4-9/h1-3,10H
InChIKey: YEBHNFDMNFHZFF-UHFFFAOYSA-N
SMILES: C(#N)C1=C(O)C=CC=C1F
CAS データベース: 140675 · 140675-43-0(CAS DataBase Reference)

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301+H311+H331 (11.1%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.