2-Methyl-5-phenyl-3-furaldehyde

HCID 2795313CAS 321309-42-6

基本信息

标准SMILES: Cc1oc(-c2ccccc2)cc1C=O
InChIKey: QRBXYIYZWZGINC-UHFFFAOYSA-N
分子式: C12H10O2
平均分子量: 186.21 g/mol
单同位素质量: 186.06807956

名称与标识

首选名称: 2-Methyl-5-phenyl-3-furaldehyde
IUPAC: 2-methyl-5-phenylfuran-3-carbaldehyde
中文名: 2-METHYL-5-PHENYL-3-FURALDEHYDE
英文名: 2-Methyl-5-phenyl-3-furaldehyde
分子式: C12H10O2
分子量: 186.21

名称与别名

2-methyl-5-phenyl-3-furaldehyde321309-42-62-methyl-5-phenylfuran-3-carbaldehyde2-methyl-5-phenyl-3-furancarboxaldehydeSCHEMBL3104199DTXSID80383621QRBXYIYZWZGINC-UHFFFAOYSA-NSBB090408AKOS006343244MS-22142DB-0481633-Furancarboxaldehyde, 2-methyl-5-phenyl-

数据库标识

CAS: 321309-42-6
PubChem CID: 2795313
DTXSID: DTXSID80383621

性质

结构计算性质

XLogP: 2.5
极性表面积: 30.2 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 196

物理化学性质

熔点: 49 °C · 49 °C
沸点: 302.6 · 302.6±30.0 °C(Predicted)
密度: 1.125 · 1.125±0.06 g/cm3(Predicted)

安全与法规

安全数据

安全说明: 26-36/37/39
危险品标志: Xn
危险类别码: 36/37/38-36-22

化学与工业

试剂价格

CC14904CB · 250MG: 2-METHYL-5-PHENYL-3-FURALDEHYDE2-methyl-5-phenyl-3-furaldehyde — 773元
CC14904DA · 1GR: 2-METHYL-5-PHENYL-3-FURALDEHYDE2-methyl-5-phenyl-3-furaldehyde — 2065元