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Merck
CN

527742

Sigma-Aldrich

2-氰基苯甲酸

technical grade

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别名:
o-Carboxybenzonitrile, NSC 193443
线性分子式:
NCC6H4CO2H
CAS号:
分子量:
147.13
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

等级

technical grade

形式

solid

mp

212 °C (lit.)

SMILES字符串

OC(=O)c1ccccc1C#N

InChI

1S/C8H5NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H,10,11)

InChI key

DTNSDCJFTHMDAK-UHFFFAOYSA-N

一般描述

2-Cyanobenzoic acid can be prepared from phthalic anhydride. Mass spectrophotometry, NMR, IR are extremely useful techniques to determine the ring-chain tautomeric equilibrium of 2-cyanobenzoic acid in all three phases. The standard (p° = 0.1MPa) molar enthalpy of formation of 2-cyanobenzoic acid is -(150.7 ± 2.0) kJ.mol-1.

应用

2-Cyanobenzoic acid may be used to synthesize phthalamidine.
Reactant involved in the synthesis of:
  • T-box riboswitch antiterminator RNA-binding oxazolidinone derivatives
  • Benzoate modified β-cyclodextrin derivatives
  • Pyrrolo[1,2-f]triazines for use as JAK2 inhibitors

Reactant involved in:
  • Decarboxylation
  • Decarboxylative halogenation
  • Protodecarboxylation

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

Eyeshields, Gloves, type N95 (US)

法规信息

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Experimental Study of Tautomeric Equilibria of 2-Cyanobenzoic Acids in Gas, Solution and Solid Phase.
Iglesias DA, et al.
Journal of Applied Solution Chemistry and Modeling, 1(2), 113-113 (2012)
Standard molar enthalpies of formation of 2-, 3-and 4-cyanobenzoic acids.
da Silva MAVR, et al.
The Journal of Chemical Thermodynamics, 40(8), 1226-1231 (2008)
The Study of Novel Synthetic Method of 2-Cyanobenzo.
Yang YS, et al.
Guangzhou Chemical Industry/ Guangzhou Huagong, 22, 016-016 (2011)

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