2-アセトアミド-5-ブロモ-6-メチルピリジン

2-Acetamido-5-bromo-6-methylpyridine

HCID 954589CAS 142404-84-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(=O)Nc1ccc(Br)c(C)n1
InChIKey: LDBWQGWJCPCZIN-UHFFFAOYSA-N
分子式: C8H9BrN2O
平均分子量: 229.07 g/mol
単同位体質量: 227.98982501

名称と識別子

優先名称: 2-Acetamido-5-bromo-6-methylpyridine
IUPAC: N-(5-bromo-6-methyl-2-pyridinyl)acetamide
現地名: 2-アセトアミド-5-ブロモ-6-メチルピリジン
英語名: 2-Acetylamino-5-bromo-6-methylpyridine
分子式: C8H9BrN2O
分子量: 229.07386

名称と別名

2-ACETAMIDO-5-BROMO-6-METHYLPYRIDINEN-(5-bromo-6-methyl-2-pyridinyl)acetamideRefChem:462752622-850-7142404-84-0N-(5-bromo-6-methylpyridin-2-yl)acetamide2-Acetylamino-5-bromo-6-methylpyridine2-Acetamido-5-bromo-6-picolineMFCD03909755N-(5-Bromo-6-methyl-2-pyridyl)acetamideN-(5-bromo-6-methyl-pyridin-2-yl)-acetamideSCHEMBL1269767

名称をさらに表示

2-アセトアミド-5-ブロモ-6-メチルピリジン6-Acetamido-3-bromo-ALPHA-picoline6-Acetamido-3-bromo-2-methylpyridine2-Acetamido-5-bromo-6-methylpyridine98%2-Acetamido-5-bromo-6-methylpyridine 98%2-Acetylamino-5-bromo-6-methylpyridine ,97%Acetamide, N-(5-bromo-6-methyl-2-pyridinyl)-

DTXSID30359270LDBWQGWJCPCZIN-UHFFFAOYSA-NSTK121018AKOS003210914AB16850CCG-339930PS-3464SY065375

データベース識別子

CAS: 142404-84-0
PubChem CID: 954589
DTXSID: DTXSID30359270
EC Number: 622-850-7
Nikkaji: J454.770E

物性

構造計算による物性

XLogP: 1.5
極性表面積: 42 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: 12
形式電荷: 0
複雑度: 174

物理化学的性質

融点: 154 · 154-158 °C (lit.)
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
色: White to Light yellow
InChI: 1S/C8H9BrN2O/c1-5-7(9)3-4-8(10-5)11-6(2)12/h3-4H,1-2H3,(H,10,11,12)
InChIKey: LDBWQGWJCPCZIN-UHFFFAOYSA-N
SMILES: CC(=O)Nc1ccc(Br)c(C)n1

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

安全データ

wgk: 3
hs_code: 29333990
risk_code: 22-37/38-41-42/43
hazard_code: Xn
safety_code: 26-36/37/39
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 11 - Combustible Solids