5-ブロモ-4-メチルピリジン-3-アミン

5-Bromo-4-methylpyridin-3-amine

HCID 7060679

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 850892-12-5
標準SMILES: Cc1c(N)cncc1Br
InChIKey: VZPJBIMRSJQEMB-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: 5-Bromo-4-methylpyridin-3-amine
IUPAC: 5-bromo-4-methylpyridin-3-amine
現地名: 5-ブロモ-4-メチルピリジン-3-アミン
英語名: 3-AMino-5-broMo-4-Methylpyridine
分子式: C6H7BrN2
分子量: 187.04

名称と別名

5-bromo-4-methylpyridin-3-amine850892-12-5DTXSID10427648RefChem:301908DTXCID90378482831-772-4MFCD074399763-AMINO-5-BROMO-4-METHYLPYRIDINE3-Pyridinamine, 5-bromo-4-methyl-5-bromo-4-methyl-pyridin-3-amineF1957-0026SCHEMBL956231

名称をさらに表示

5-ブロモ-4-メチルピリジン-3-アミン3-BroMo-4-Methyl-5-aMinopyridine5-BroMo-4-Methyl-3-aMinopyridine5-Bromo-4-methylpyridin-3-ylamine5-Bromo-4-methyl-3-aminopyridine 95+%3-AMino-5-broMo-4-Methylpyridine ISO 9001：2015 REACH

5-BROMO-4-METHYL-PYRIDIN-3-YLAMINE5-Bromo-4-methy-pyridin-3-ylamine5-bromo-4-methyl-3-pyridinamineVZPJBIMRSJQEMB-UHFFFAOYSSCHEMBL295162475-bromo-4-methyl-3-pyridylamineVZPJBIMRSJQEMB-UHFFFAOYSA-NSMSSF-0532966

データベース識別子

CAS: 850892-12-5
PubChem CID: 7060679
DTXSID: DTXSID10427648
EC Number: 831-772-4

物性

構造計算による物性

XLogP: 1.2
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: 0
重原子数: 9
形式電荷: 0
複雑度: 97

物理化学的性質

沸点: 302 · 302.0±37.0 °C(Predicted)
比重(密度): 1.593 · 1.593±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: solid
酸解離定数(Pka): 4.46 · 4.46±0.28(Predicted)
InChI: 1S/C6H7BrN2/c1-4-5(7)2-9-3-6(4)8/h2-3H,8H2,1H3
InChIKey: VZPJBIMRSJQEMB-UHFFFAOYSA-N
SMILES: CC1=C(C=NC=C1Br)N

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (50%): 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+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.；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.