2-CYANOBENZOIC ACID

CAS No.
3839-22-3
CCD No.
CCD00030407
Formula
C8 H5 N O2
MolWeight
147.133

Basic Information

Product Name: 2-CYANOBENZOIC ACID
CAS: 3839-22-3
English Synonyms: BENZOIC ACID, 2-CYANO- ; 2-CARBOXYBENZONITRILE ; O-CARBOXYBENZONITRILE ; O-CYANOBENZOIC ACID ; 2-CYANOBENZOIC ACID
MDL Number.: MFCD00045796
H bond acceptor: 3
H bond donor: 1
Smile: c1ccc(c(c1)C#N)C(=O)O
InChi: InChI=1S/C8H5NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H,10,11)
InChiKey: InChIKey=DTNSDCJFTHMDAK-UHFFFAOYSA-N

Property

Melting Point: 212 DEG C(LIT)
Comments: APPLICATION: REACTANT INVOLVED IN THE SYNTHESIS OF: T-BOX RIBOSWITCH ANTITERMINATOR RNA-BINDING OXAZOLIDINONE DERIVATIVES. BENZOATE MODIFIED BETA-CYCLODEXTRIN DERIVATIVES. PYRROLO[1,2-F]TRIAZINES FOR USE AS JAK2 INHIBITORS REACTANT INVOLVED IN: DECARBOXYLATION. DECARBOXYLATIVE HALOGENATION. PROTODECARBOXYLATION
NSC 193443
UNSPSC: 12352100
WGK: 3
Specification: TECHNICAL GRADE

Safety information

WGK Germany: 3

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