| Identification | More | [Name]
2-CYANOBENZOIC ACID | [CAS]
3839-22-3 | [Synonyms]
2-CARBOXYBENZONITRILE
2-CYANOBENZOIC ACID
O-CYANOBENZOIC ACID
RARECHEM AL BE 0698
TIMTEC-BB SBB008461
Benzoic acid, 2-cyano-
2-Cyano Benzoic Acid o-Cyano Benzoic Acid
Benzoic acid, 2-cyano-(9CI) | [Molecular Formula]
C8H5NO2 | [MDL Number]
MFCD00045796 | [Molecular Weight]
147.13 | [MOL File]
3839-22-3.mol |
| Chemical Properties | Back Directory | [Appearance]
Off-white needles | [Melting point ]
212 °C (lit.) | [Boiling point ]
341.9±25.0 °C(Predicted) | [density ]
1.32±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
DMSO (Sparingly), Methanol (Slightly) | [form ]
Liquid or Low Melting Solid | [pka]
pK1:3.14 (25°C) | [color ]
Clear colorless to light yellow or white to pale yellow | [CAS DataBase Reference]
3839-22-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing . | [RIDADR ]
3439 | [WGK Germany ]
3
| [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 |
| Hazard Information | Back Directory | [Chemical Properties]
Off-white needles | [Uses]
2-Cyanobenzoic acid may be used to synthesize phthalamidine. | [Uses]
2-Cyanobenzoic acid has been used as reactant in the synthesis of T-box riboswitch antiterminator RNA-binding oxazolidinone derivatives, Benzoate modified β-cyclodextrin derivatives and Pyrrolo[1,2-f]triazines for use as JAK2 inhibitors. As a reactant involved in decarboxylation, decarboxylative halogenation and protodecarboxylation. | [General Description]
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. |
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