850568-46-6

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850568-46-6 Structure

Identification	Back Directory
[Name] (4-CYANO-2-NITROPHENYL)BORONIC ACID
[CAS] 850568-46-6
[Synonyms] 4-Cyano-2-nitrobenzeneboronic acid (4-CYANO-2-NITROPHENYL)BORONIC ACID 4-Cyano-2-nitrobenzeneboronicacid95% 4-Cyano-2-nitrobenzeneboronic acid 95%
[Molecular Formula] C7H5BN2O4
[MDL Number] MFCD04115646
[MOL File] 850568-46-6.mol
[Molecular Weight] 191.94

Chemical Properties	Back Directory
[Melting point ] 110-116°C
[storage temp. ] Keep Cold
[InChI] InChI=1S/C7H5BN2O4/c9-4-5-1-2-6(8(11)12)7(3-5)10(13)14/h1-3,11-12H
[InChIKey] YDIOTBNYNPBRFF-UHFFFAOYSA-N
[SMILES] B(C1=CC=C(C#N)C=C1[N+]([O-])=O)(O)O
[CAS DataBase Reference] 850568-46-6

Safety Data	Back Directory
[Symbol(GHS) ] GHS06
[Signal word ] Warning
[Hazard statements ] H301-H315-H319-H335
[Precautionary statements ] P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
[Hazard Codes ] Xi
[Risk Statements ] 20/21/22-36/37/38
[Safety Statements ] 26-36/37/39
[RIDADR ] 3439
[Hazard Note ] Irritant/Keep Cold
[HazardClass ] IRRITANT
[HS Code ] 2931900090

Spectrum Detail	Back Directory
[Spectrum Detail] (4-CYANO-2-NITROPHENYL)BORONIC ACID(850568-46-6)¹HNMR

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