CAS 243128-37-2 4-Fluoro-3-methoxybenzonitrile (HCID 2737365)

基本情報

CAS: 243128-37-2
標準SMILES: COc1cc(C#N)ccc1F
InChIKey: FOWHAPVFVBXMBK-UHFFFAOYSA-N
分子式: C8H6FNO
平均分子量: 151.14 g/mol
単同位体質量: 151.04334203

名称と識別子

優先名称: 4-Fluoro-3-methoxybenzonitrile
IUPAC: 4-fluoro-3-methoxybenzonitrile
現地名: 4-フルオロ-3-メトキシベンゾニトリル
英語名: 4-Fluoro-3-methoxybenzonitrile
分子式: C8H6FNO
分子量: 151.14

名称と別名

4-Fluoro-3-methoxybenzonitrile243128-37-2DTXSID00372017RefChem:98978DTXCID10323050607-355-63-methoxy-4-fluorobenzonitrileMFCD015693714-fluoro-3-methoxy-benzonitrile4-fluoro-3-methoxybenzenecarbonitrileCL8213AKOS005063947

名称をさらに表示

4-フルオロ-3-メトキシベンゾニトリル3-メトキシ-4-フルオロベンゾニトリルBUTTPARK 22\01-645-Cyano-2-fluoroanisole4-Fluoro-3-methoxybenzonitri3-methoxy-fluorobenzonitrile4-Fluoro-3-methoxybenzonitrile99%4-Fluoro-3-methoxybenzonitrile 99%Benzonitrile, 4-fluoro-3-methoxy- (9CI)

AC-4078EN300-80744Benzonitrile, 4-fluoro-3-methoxy-4-fluoro-3-methoxy benzonitrileFT-0644096SCHEMBL350999SBB063008CS-W016317

データベース識別子

CAS: 243128-37-2
PubChem CID: 2737365
DTXSID: DTXSID00372017
EC Number: 607-355-6
Nikkaji: J3.290.601J

物性

構造計算による物性

XLogP: 1.7
極性表面積: 33 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 174

物理化学的性質

融点: 109 °C · 109 °C
沸点: 96 · 96-98°C 1,5mm
比重(密度): 1.18 · 1.18±0.1 g/cm3(Predicted)
闪点: 96 · 96-98°C/1.5mm
貯蔵温度: Sealed in dry,Room Temperature
溶解性: soluble in Toluene
外見: powder to crystal
色: White to Light yellow to Light orange
BRN: 2965042 · 2965042
CAS データベース: 243128 · 243128-37-2(CAS DataBase Reference)

化学的性質

化学的特性White powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301+H311+H331 (18.2%): 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 11 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.