3-(アミノメチル)-5-ブロモピリジン

3-(Aminomethyl)-5-bromopyridine

HCID 22992264

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 135124-70-8
標準SMILES: NCc1cncc(Br)c1
InChIKey: OQUHYNMITHDQLD-UHFFFAOYSA-N
分子式: C6H7BrN2
平均分子量: 187.04 g/mol
単同位体質量: 185.97926

名称と識別子

優先名称: 3-(Aminomethyl)-5-bromopyridine
IUPAC: (5-bromo-3-pyridinyl)methanamine
現地名: 3-(アミノメチル)-5-ブロモピリジン
英語名: 3-(Aminomethyl)-5-bromopyridine 97%
分子式: C6H7BrN2
分子量: 187.04

名称と別名

3-(Aminomethyl)-5-bromopyridineRefChem:494085640-639-8(5-Bromopyridin-3-yl)methanamine135124-70-8(5-Bromo-3-pyridinyl)methylamine5-Bromo-3-pyridinemethylamine1-(5-BROMOPYRIDIN-3-YL)METHANAMINEMFCD06212876(5-bromo-3-pyridyl)methylamineCHEMBL61207453-(Aminomethyl)-5-bromopyridine 97per cent

名称をさらに表示

3-(アミノメチル)-5-ブロモピリジン5-ブロモ-3-ピリジンメチルアミン(5-Bromopyridin-3-yl)methylamine3-(Aminomethyl)-5-bromopyridine 97%3-(Aminomethyl)-5-bromopyridine 97%3-(Aminomethyl)-5-bromopyridine 95+%(5-bromopyridin-3-yl)methanamine - [B3293]

C-(5-BROMO-PYRIDIN-3-YL)-METHYLAMINE3-Pyridinemethanamine, 5-bromo-3-Aminomethyl-5-bromopyridine5-BROMO-3-PYRIDINEMETHANAMINE5-aminomethyl-3-bromopyridineSCHEMBL745600(5-bromo-3-pyridyl)methanamineDTXSID50629407

データベース識別子

CAS: 135124-70-8
PubChem CID: 22992264
DTXSID: DTXSID50629407
ChEMBL: CHEMBL6120745
EC Number: 640-639-8

物性

構造計算による物性

XLogP: 0.4
極性表面積: 38.9 Å²
水素結合供与体数: 1
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: 87

物理化学的性質

沸点: 269.4 · 269.4±25.0 °C(Predicted)
比重(密度): 1.574 · 1.574±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): 7.75 · 7.75±0.29(Predicted)
外見: liquid
色: Red

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)；Acute Tox. 4 (66.7%)；Acute Tox. 4 (33.3%)；Skin Corr. 1B (33.3%)；Eye Dam. 1 (33.3%)；Acute Tox. 4 (66.7%)