4-Bromomethyl-2-fluoropyridine

HCID 13985168CAS 64992-03-6

基本情報

標準SMILES: Fc1cc(CBr)ccn1
InChIKey: QVTCEZINLKFYJJ-UHFFFAOYSA-N
分子式: C6H5BrFN
平均分子量: 190.01 g/mol

名称と識別子

優先名称: 4-Bromomethyl-2-fluoropyridine
IUPAC: 4-(bromomethyl)-2-fluoropyridine
英語名: 4-(bromomethyl)-2-fluoropyridine
分子式: C6H5BrFN
分子量: 190.01

名称と別名

64992-03-64-bromomethyl-2-fluoropyridineRefChem:520509972-494-44-(bromomethyl)-2-fluoropyridineMFCD09953531SCHEMBL501592SCHEMBL298939024-Bromomethyl-2-fluoro-pyridine2-fluoro-4-(bromomethyl)pyridineQVTCEZINLKFYJJ-UHFFFAOYSA-N4-(bromomethyl)-2-fluoro-pyridine

名称をさらに表示

PCA99203AKOS006311938Pyridine, 4-(bromomethyl)-2-fluoro-BS-53360SY232376DB-106132EN300-253148F88087

データベース識別子

CAS: 64992-03-6
PubChem CID: 13985168
EC Number: 972-494-4

物性

構造計算による物性

XLogP: 1.8
極性表面積: 12.9 Å²
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: 1
重原子数: 9
形式電荷: 0
複雑度: 89.1

物理化学的性質

沸点: 232.9 · 232.9±25.0 °C(Predicted)
比重(密度): 1.632 · 1.632±0.06 g/cm3(Predicted)
酸解離定数(Pka): -0.84 · -0.84±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.