527742

2-氰基苯甲酸

technical grade

• 同義詞: o-Carboxybenzonitrile, NSC 193443
• 線性公式: NCC₆H₄CO₂H
• CAS號碼: 3839-22-3
• 分子量：: 147.13
• MDL號碼: MFCD00045796
• 分類程式碼代碼: 12352100
• PubChem物質ID: 24874642
• NACRES: NA.22

屬性

• 等級: technical grade
• 形狀: solid
• mp: 212 °C (lit.)
• SMILES 字串: 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 密鑰: DTNSDCJFTHMDAK-UHFFFAOYSA-N

描述

一般說明

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.

應用

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

安全資訊

• 儲存類別代碼: 11 - Combustible Solids
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: Not applicable
• 閃點（°C）: Not applicable
• 個人防護裝備: Eyeshields, Gloves, type N95 (US)