CAS 100202-78-6 2-(Bromomethyl)-6-fluoropyridine (HCID 13985218)

基本情報

CAS: 100202-78-6
標準SMILES: Fc1cccc(CBr)n1
InChIKey: ADYKBYXVMBDQQX-UHFFFAOYSA-N
分子式: C6H5BrFN
平均分子量: 190.01 g/mol
単同位体質量: 188.95894

名称と識別子

優先名称: 2-(Bromomethyl)-6-fluoropyridine
IUPAC: 2-(bromomethyl)-6-fluoropyridine
現地名: 2-(ブロモメチル)-6-フルオロピリジン
英語名: 2-(BroMoMethyl)-6-fluoropyridine
分子式: C6H5BrFN
分子量: 190.01

名称と別名

2-(Bromomethyl)-6-fluoropyridine100202-78-6DTXSID40553828RefChem:253365DTXCID20504611815-302-5Pyridine, 2-(bromomethyl)-6-fluoro-MFCD099535322-bromomethyl-6-fluoropyridine6-(bromomethyl)-2-fluoropyridine6-fluoro-2-bromomethylpyridine6-Bromomethyl-2-fluoropyridine

名称をさらに表示

2-(ブロモメチル)-6-フルオロピリジン-6-fluoropyridine

SCHEMBL10223052-(bromomethyl)-6-fluoro-pyridine2-bromomethyl-6-fluo2-bromomethyl-6-fluoro-pyridineSCHEMBL29480775ADYKBYXVMBDQQX-UHFFFAOYSA-NAKOS006311939CS-W006122

データベース識別子

CAS: 100202-78-6
PubChem CID: 13985218
DTXSID: DTXSID40553828
EC Number: 815-302-5

物性

構造計算による物性

XLogP: 1.9
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

物理化学的性質

沸点: 208.8 · 208.8±25.0 °C(Predicted)
比重(密度): 1.632 · 1.632±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): -2.22 · -2.22±0.12(Predicted)
外見: liquid
色: Colourless to light yellow

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (75%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.