4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole

HCID 2763291

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基本情報

CAS: 39624-97-0
標準SMILES: CC(C)c1nc(CCl)co1
InChIKey: OPCOPSQQXAHCMD-UHFFFAOYSA-N
分子式: C7H10ClNO
平均分子量: 159.61 g/mol
単同位体質量: 159.04509162

名称と識別子

優先名称: 4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole
IUPAC: 4-(chloromethyl)-2-propan-2-yl-1,3-oxazole
英語名: 4-Chloromethyl-2-isopropyloxazole
分子式: C7H10ClNO
分子量: 159.61

名称と別名

4-(CHLOROMETHYL)-2-(PROPAN-2-YL)-1,3-OXAZOLERefChem:515569864-087-44-(Chloromethyl)-2-isopropyloxazole39624-97-04-(chloromethyl)-2-isopropyl-1,3-oxazole4-Chloromethyl-2-isopropyloxazole4-(chloromethyl)-2-propan-2-yl-1,3-oxazoleMFCD077873904-chloromethyl-2-isopropyl oxazoleOxazole, 4-(chloromethyl)-2-(1-methylethyl)-SCHEMBL209893

名称をさらに表示

4-(chloromethyl)-2-(1-methylethyl)Oxazole4-(Chloromethyl)-2-(prop-2-yl)-1,3-oxazole

Chloromethyl-2-isopropyloxazoleDTXSID80376876OPCOPSQQXAHCMD-UHFFFAOYSA-NPBA624974-(chloromethyl)-2-isopropyl-oxazoleAKOS005255410AB42970AT18627

データベース識別子

CAS: 39624-97-0
PubChem CID: 2763291
DTXSID: DTXSID80376876
EC Number: 864-087-4

物性

構造計算による物性

XLogP: 1.9
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: 2
重原子数: 10
形式電荷: 0
複雑度: 108

物理化学的性質

沸点: 204.4 · 204.4±15.0 °C(Predicted)
比重(密度): 1.114 · 1.114±0.06 g/cm3(Predicted)
酸解離定数(Pka): 1.13 · 1.13±0.36(Predicted)
外見: liquid
色: Clear, colourless

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.