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化合物简介
Phthalane is a bicyclic aromatic organic compound. It is also known as isocoumaran, or 1,3-dihydro-2-benzofuran. Derivatives are found in the drug Citalopram, and drug candidate Lu 10-171. It can be oxidised to phthalic acid.
基本信息
CAS：496-14-0
中文别名：邻苯二甲基氧化物;二氢异苯并呋喃;
英文别名：Phthalan;1,3-Dihydrobenzo[c]furan;o-Xylylene Oxide;Isocoumaran;
分子式：C8H8O
分子量：120.149
精确质量：120.058
Psa：9.23
Logp：1.7168
中文别名：邻苯二甲基氧化物;二氢异苯并呋喃;
英文别名：Phthalan;1,3-Dihydrobenzo[c]furan;o-Xylylene Oxide;Isocoumaran;
分子式：C8H8O
分子量：120.149
精确质量：120.058
Psa：9.23
Logp：1.7168
编号系统
UNII：2R6NTQ7Y6G
物化性质
外观与性状：透明黄色液体
密度：1.098g/mLat 25°C(lit.)
沸点：192°C(lit.)
熔点：6ºC
闪点：146°F
折射率：n20/D 1.546(lit.)
稳定性：Stable under normal temperatures and pressures.
储存条件：Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
蒸汽压：0.696mmHg at 25°C
密度：1.098g/mLat 25°C(lit.)
沸点：192°C(lit.)
熔点：6ºC
闪点：146°F
折射率：n20/D 1.546(lit.)
稳定性：Stable under normal temperatures and pressures.
储存条件：Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
蒸汽压：0.696mmHg at 25°C
安全信息
安全说明：S24/25
WGK Germany：3
海关编码：2932999099
WGK Germany：3
海关编码：2932999099
生产方法及用途
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR
13C NMR : Predict
1H NMR : Predict
13C NMR : in CDCl3
1H NMR : 400 MHz in CDCl3
Mass
IR : liquid film
