CAS 191014-55-8 4-Fluoro-2-methoxybenzonitrile (HCID 2783329)

基本情報

CAS: 191014-55-8
標準SMILES: COc1cc(F)ccc1C#N
InChIKey: HGBKZVIQHCUHRI-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-2-methoxybenzonitrile
IUPAC: 4-fluoro-2-methoxybenzonitrile
現地名: 4-フルオロ-2-メトキシベンゾニトリル
英語名: 4-Fluoro-2-methoxybenzonitrile
分子式: C8H6FNO
分子量: 151.14

名称と別名

4-Fluoro-2-methoxybenzonitrile191014-55-8DTXSID90382584RefChem:292777DTXCID60333609642-486-2Benzonitrile, 4-fluoro-2-methoxy-MFCD041163352-methoxy-4-fluorobenzonitrile4-fluoro-2-methoxy-benzonitrileSCHEMBL5512934-fluoro-2-methoxybenzenecarbonitrile

名称をさらに表示

4-フルオロ-2-メトキシベンゾニトリルBUTTPARK 80\07-224-Fluoro-2-methoxybenzonitril4-Fluoro-o-anisonitrile, 2-Cyano-5-fluoroanisole

4-Fluoro-o-anisonitrile2-Cyano-5-fluoroanisoleBenzonitrile, 4-fluoro-2-methoxy- (9CI)4Fluoro-2-methoxy-benzonitrileHGBKZVIQHCUHRI-UHFFFAOYSA-NCK1051SBB063923AKOS005255777

データベース識別子

CAS: 191014-55-8
PubChem CID: 2783329
DTXSID: DTXSID90382584
EC Number: 642-486-2
Nikkaji: J2.723.251E

物性

構造計算による物性

XLogP: 2.5
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: 75 °C · 75 °C
沸点: 239.2 · 239.2±20.0 °C(Predicted)
比重(密度): 1.18 · 1.18±0.1 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: crystalline solid
色: White to off-white
CAS データベース: 191014 · 191014-55-8(CAS DataBase Reference)

化学的性質

化学的特性off-white crytalline

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.