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Product details

名称

2-氰基苯酚

分子类型

小分子

别名

水杨腈 | 邻氰基酚 | 2-羟基苯甲腈 | 邻羟基苯甲腈 | 2-羟基苯腈

英文别名

英文名称

2-Hydroxybenzonitrile

货号

H103175-2.5kg

包装规格

2.5kg

浓度

≥95%

运输条件

常规运输

产品介绍

在以下合成过程中，使用 2-羟基苯甲腈作为起始试剂： • 单烷氧基苯基恶唑啉 • 呋喃糖苷 2-羟基苯甲腈可用于制备： • 甲基-（2-氰苯氧基）乙酸盐 • 3-氨基- N -苯基苯并呋喃-2-甲酰胺 • 2-（2-氧代-2-苯乙氧基）苯甲腈 • 3-氨基-2-氰基苯 b 呋喃也可用作间-选择性 C-H 键烷基化的导向基团。

应用

布尼洛尔的中间体。

CAS号

611-20-1

分子式

C7H5NO

分子量

119.12 g/mol

Beilstein号

1210029

EC号

210-259-3

MDL号

MFCD00002145

PubChem编号

11907

Isomeric SMILES

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

IIUPAC Name

2-hydroxybenzonitrile

INCHI

1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H

InChi Key

CHZCERSEMVWNHL-UHFFFAOYSA-N

Smiles

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

PubChem SID

488181472

溶解性

Soluble in water.

熔点

92-95°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

119.037 Da

单同位素质量Monoisotopic Mass

119.037 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

135.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.600

密度

1.1052

沸点

149 °C/14 mmHg

Reaxy-Rn

1210029

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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