7-ブロモ-3,4-ジヒドロ-4-メチル-2H-1,4-ベンゾキサジン

7-Bromo-3,4-dihydro-4-methyl-2H-1,4-benzoxazine

HCID 2776405

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 154264-95-6
標準SMILES: CN1CCOc2cc(Br)ccc21
InChIKey: MQMFOFZKZBLSAB-UHFFFAOYSA-N
分子式: C9H10BrNO
平均分子量: 228.09 g/mol
単同位体質量: 226.99457604

名称と識別子

優先名称: 7-Bromo-3,4-dihydro-4-methyl-2H-1,4-benzoxazine
IUPAC: 7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazine
現地名: 7-ブロモ-3,4-ジヒドロ-4-メチル-2H-1,4-ベンゾキサジン
英語名: 7-Bromo-4-methyl-3,4-dihydro-2H-1,4-benzoxazine
分子式: C9H10BrNO
分子量: 228.09

名称と別名

7-Bromo-3,4-dihydro-4-methyl-2H-1,4-benzoxazineRefChem:545750639-413-1154264-95-67-bromo-4-methyl-3,4-dihydro-2H-1,4-benzoxazine7-Bromo-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazineMFCD02681913SCHEMBL902429PS-4279CS-00978307-Bromo-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazine

名称をさらに表示

7-ブロモ-3,4-ジヒドロ-4-メチル-2H-1,4-ベンゾキサジン7-ブロモ-4-メチル-3,4-ジヒドロ-2H-1,4-ベンゾキサジン2H-1,4-Benzoxazine, 7-bromo-3,4-dihydro-4-methyl-7-Bromo-3,4-dihydro-4-methyl-2H-benzo[b][1,4]oxazine7-Bromo-4-methyl-3,4-dihydro-2h-1,4-benzoxazine, tech7-bromo-4methyl-3,4-dihydroxy-2H-1,4-benzenebenzoazine

7-bromo-4-methyl-2H,3H-benzo[e]1,4-oxazine7-bromo-4-meth2H-1,4-Benzoxazine,7-bromo-3,4-dihydro-4-methyl-AM84499FT-0621367SCHEMBL30336465DTXSID00380051MQMFOFZKZBLSAB-UHFFFAOYSA-N

データベース識別子

CAS: 154264-95-6
PubChem CID: 2776405
DTXSID: DTXSID00380051
EC Number: 639-413-1

物性

構造計算による物性

XLogP: 2.5
極性表面積: 12.5 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: 0
重原子数: 12
形式電荷: 0
複雑度: 165

物理化学的性質

融点: 47 °C · 47 °C
沸点: 309.2 · 309.2±42.0 °C(Predicted)
比重(密度): 1.475 · 1.475
貯蔵温度: 2 · 2-8°C
外見: low melting solid
酸解離定数(Pka): 5.04 · 5.04±0.20(Predicted)
色: Pale Yellow
InChI: InChI=1S/C9H10BrNO/c1-11-4-5-12-9-6-7(10)2-3-8(9)11/h2-3,6H,4-5H2,1H3
InChIKey: MQMFOFZKZBLSAB-UHFFFAOYSA-N
SMILES: O1C2=CC(Br)=CC=C2N(C)CC1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.