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Product details

名称

4-甲氧基苯腈

分子类型

小分子

别名

对甲氧基苯甲腈,大茴香腈

英文别名

Anisonitrile | 4-anisonitrile | BP-12473 | STR00967 | HMS1760K15 | NSC 3777 | NSC 71539 | NSC3777 | NSC-3777 | 1-methoxy-4-cyano-benzene | AMY4132 | NSC71539 | NSC-71539 | PS-4309 | Tox21_304041 | p-Methoxybenzonitrile | 1-Cyano-4-methoxybenzene | p-Aniso

英文名称

4-Methoxybenzonitrile

货号

M111093-500g

包装规格

500g

浓度

≥99%

储存温度

干燥

运输条件

常规运输

敏感性

易吸潮

产品介绍

该品具有浓郁、持久而细腻的山楂子和香美兰香气。在碱性物质中其香色和颜色都不变化。溶于水。4-Methoxybenzonitrile is used as raw material of parfum.

应用

4-Methoxybenzonitrile is used as raw material of parfum.

CAS号

874-90-8

分子式

C8H7NO

分子量

133.15 g/mol

Beilstein号

10(3)344

EC号

212-871-6

MDL号

MFCD00001818

PubChem编号

70129

Isomeric SMILES

COC1=CC=C(C=C1)C#N

IIUPAC Name

4-methoxybenzonitrile

INCHI

1S/C8H7NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3

InChi Key

XDJAAZYHCCRJOK-UHFFFAOYSA-N

Smiles

COC1=CC=C(C=C1)C#N

PubChem SID

504754490

溶解性

Insoluble in water.

熔点

57-60°C

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

133.053 Da

单同位素质量Monoisotopic Mass

133.053 Da

拓扑极表面积Topological Polar Surface Area

33.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

139.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.900

沸点

137 °C/20 mmHg

Reaxy-Rn

508117

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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