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Product details

名称

4-(羟甲基)苯甲腈

别名

4-氰基苄醇

英文别名

英文名称

4-(Hydroxymethyl)benzonitrile

货号

H124046-100g

包装规格

100g

浓度

≥97%

运输条件

常规运输

产品介绍

Product Describtion: 4-(Hydroxymethyl)benzonitrile can be synthesized via hydrosilylation reaction in the presence of Fe complex Bu4N[Fe(CO)3(NO)] [catalyst]. It can also be prepared from 4-(aminomethyl) benzyl alcohol. Product Application： 4-(Hydroxymethyl)benzonitrile [p-(hydroxymethyl)benzonitrile] may be used to synthesize p-((vinyloxy)methyl)benzonitrile (VOMBN).

CAS号

874-89-5

分子式

C8H7NO

分子量

133.15 g/mol

Beilstein号

2206193

MDL号

MFCD00870633

PubChem编号

160549

Isomeric SMILES

C1=CC(=CC=C1CO)C#N

IIUPAC Name

4-(hydroxymethyl)benzonitrile

INCHI

1S/C8H7NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,6H2

InChi Key

XAASLEJRGFPHEV-UHFFFAOYSA-N

Smiles

C1=CC(=CC=C1CO)C#N

PubChem SID

488188318

溶解性

Insoluble in water.

熔点

39-43°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

44.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

139

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.1

闪点(℃)

110 °C

Reaxy-Rn

2206193

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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