CAS 865156-50-9 (4-Bromopyridin-2-yl)methanamine (HCID 46907956)

基本情報

CAS: 865156-50-9
標準SMILES: NCc1cc(Br)ccn1
InChIKey: ZIIMDWQEXYZSMZ-UHFFFAOYSA-N
分子式: C6H7BrN2
平均分子量: 187.04 g/mol
単同位体質量: 185.97926032

名称と識別子

優先名称: (4-Bromopyridin-2-yl)methanamine
IUPAC: (4-bromo-2-pyridinyl)methanamine
現地名: (4-ブロモピリジン-2-イル)メタンアミン
英語名: (4-Bromopyridin-2-yl)methanamine
分子式: C6H7BrN2
分子量: 187.04

名称と別名

(4-BROMOPYRIDIN-2-YL)METHANAMINERefChem:402569827-452-9865156-50-9MFCD073749032-Pyridinemethanamine, 4-bromo-4-BROMO-2-PYRIDINEMETHANAMINE(4-Bromo-2-pyridyl)methanamine2-AMINOMETHYL-4-BROMOPYRIDINESCHEMBL721684DTXSID30677204C-(4-BROMO-PYRIDIN-2-YL)-METHYLAMINE

名称をさらに表示

(4-ブロモピリジン-2-イル)メタンアミン2-AMinoMethyl-4-broMopyri...4-bromo-2-pyridinemethylamineC-(4-BROMO-PYRIDIN-2-YL)-METHAMINE1-(4-Bromo-2-pyridinyl)methanamine

(4-bromo-2-pyridinyl)methanamine1-(4-Bromopyridin-2-yl)methanamineZIIMDSCHEMBL29705223ZIIMDWQEXYZSMZ-UHFFFAOYSA-N2-(amino-methyl)-4-bromo-pyridineC-(4-bromopyridin-2-yl)methylamineAKOS006286082

データベース識別子

CAS: 865156-50-9
PubChem CID: 46907956
DTXSID: DTXSID30677204
EC Number: 827-452-9

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: 87.1

物理化学的性質

沸点: 262.8 · 262.8±25.0 °C(Predicted)
比重(密度): 1.574 · 1.574±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): 8.42 · 8.42±0.39(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, 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.