5-(ブロモメチル)イソオキサゾール

5-(Bromomethyl)-1,2-oxazole

HCID 10034903

ノート反応

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基本情報

CAS: 69735-35-9
標準SMILES: BrCc1ccno1
InChIKey: DKBISLDZVNXIFT-UHFFFAOYSA-N
分子式: C4H4BrNO
平均分子量: 161.98 g/mol
単同位体質量: 160.94763

名称と識別子

優先名称: 5-(Bromomethyl)-1,2-oxazole
IUPAC: 5-(bromomethyl)-1,2-oxazole
現地名: 5-(ブロモメチル)イソオキサゾール
英語名: 5-Bromomethyl-isoxazole
分子式: C4H4BrNO
分子量: 161.98

名称と別名

5-(bromomethyl)-1,2-oxazoleRefChem:530808815-476-25-(Bromomethyl)isoxazole69735-35-95-BROMOMETHYL-ISOXAZOLEMFCD086695175-BROMOMETHYLISOXAZOLEIsoxazole, 5-(bromomethyl)-Isoxazole, 5-(bromomethyl)- (9CI)5-bromomethyl isoxazole5-(Bromomethyl);isoxazole

名称をさらに表示

5-(ブロモメチル)イソオキサゾール40013 1 380,-

SCHEMBL918053DTXSID80434445DKBISLDZVNXIFT-UHFFFAOYSA-NCS-D02115-(Bromomethyl)isoxazole, AldrichCPRAKOS006238586SB38364BS-12754

データベース識別子

CAS: 69735-35-9
PubChem CID: 10034903
DTXSID: DTXSID80434445
EC Number: 815-476-2
Nikkaji: J1.446.116G

物性

構造計算による物性

XLogP: 1
極性表面積: 26 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: 1
重原子数: 7
形式電荷: 0
複雑度: 59

物理化学的性質

沸点: 58 · 58-62 °C(Press: 0.5 Torr)
比重(密度): 1.706 · 1.706±0.06 g/cm3(Predicted)
酸解離定数(Pka): -2.63 · -2.63±0.50(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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.