CAS 4949-13-7 2-Fluoropyrazine (HCID 642835)

基本情報

CAS: 4949-13-7
標準SMILES: Fc1cnccn1
InChIKey: IJUHIGIZXFLJOY-UHFFFAOYSA-N
分子式: C4H3FN2
平均分子量: 98.08 g/mol
単同位体質量: 98.02802632

名称と識別子

優先名称: 2-Fluoropyrazine
IUPAC: 2-fluoropyrazine
現地名: 2-フルオロピラジン
英語名: 2-Fluoropyrazine 98
分子式: C4H3FN2
分子量: 98.08

名称と別名

2-fluoropyrazine4949-13-7pyrazine, 2-fluoro-DTXSID90878715RefChem:87186DTXCID801016755664-291-1InChI=1/C4H3FN2/c5-4-3-6-1-2-7-4/h1-32-Fluoro-pyrazineFluoropyrazine2-FLUOROPYRAZINE 98MFCD03094084

名称をさらに表示

2-フルオロピラジンFluoropyrazine 97%2-Fluoro-1,4-diazine2-Fluoropyrazine 98%

Pyrazine, fluoro-Fluoropyrazine, 97%SCHEMBL115640SCHEMBL448307SCHEMBL451341SCHEMBL451629SCHEMBL3620751SCHEMBL29781530

データベース識別子

CAS: 4949-13-7
PubChem CID: 642835
DTXSID: DTXSID90878715
EC Number: 664-291-1
Nikkaji: J151.505E

物性

構造計算による物性

XLogP: 0.3
極性表面積: 25.8 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: 0
重原子数: 7
形式電荷: 0
複雑度: 57.7

実験および物理化学的性質

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP0.29

物理化学的性質

沸点: 84 · 84/0.25mm
比重(密度): 1.213 · 1.213
屈折率: 1.469 · 1.469
闪点: 21 ℃ · 21℃
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: liquid
酸解離定数(Pka): -1.27 · -1.27±0.10(Predicted)
InChI: 1S/C4H3FN2/c5-4-3-6-1-2-7-4/h1-3H
InChIKey: IJUHIGIZXFLJOY-UHFFFAOYSA-N
SMILES: Fc1cnccn1
CAS データベース: 4949 · 4949-13-7

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

安全データ

wgk: 3
ridadr: UN 1993BF 3 / PGII
hs_code: 2933998090
risk_code: 10-22-37/38-41
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-39
hazard_class: 3
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids