ChemicalBook--->CAS DataBase List--->116313-85-0

116313-85-0

116313-85-0 Structure

116313-85-0 Structure
IdentificationMore
[Name]

3-Nitro-4,5-dihydroxybenzaldehyde
[CAS]

116313-85-0
[Synonyms]

3,4-DIHYDROXY-5-NITROBENZALDEHYDE
3-NITRO-4,5-DIHYDROXYBENZALDEHYDE
3,4-dihydroxy-5-nitro-benzaldehyd
3,4-Dihydroxy-5-nitrobenzaldehdye
3,4-Dihydroxy-5-Nitrobenzaldeh
3,4-DIHYDROXY-5-NITROBENZALDEHYDE,SPECIFICATION: >98.5%(HPLC UV)
5-NITRO-3,4-DIHYDROXYBENZALDEHYDE
3,4-Dihydroxy-5-Nitro Benzyaldehyde
[EINECS(EC#)]

441-810-8
[Molecular Formula]

C7H5NO5
[MDL Number]

MFCD00871897
[Molecular Weight]

183.12
[MOL File]

116313-85-0.mol
Chemical PropertiesBack Directory
[Melting point ]

147 °C
[Boiling point ]

310.9±42.0 °C(Predicted)
[density ]

1.667±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

DMSO
[form ]

Solid
[pka]

4.78±0.38(Predicted)
[color ]

Dark Yellow
[InChI]

InChI=1S/C7H5NO5/c9-3-4-1-5(8(12)13)7(11)6(10)2-4/h1-3,10-11H
[InChIKey]

BBFJODMCHICIAA-UHFFFAOYSA-N
[SMILES]

C(=O)C1=CC([N+]([O-])=O)=C(O)C(O)=C1
[CAS DataBase Reference]

116313-85-0(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25-36-43
[Safety Statements ]

26-36/37-45
[RTECS ]

CU5665000
[HS Code ]

2912.49.2600
[Toxicity]

mouse,LDLo,oral,312mg/kg (312mg/kg),Helvetica Chimica Acta. Vol. 72, Pg. 952, 1989.
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Entacapone-->3,4-DIMETHOXY-5-NITRO-BENZALDEHYDE-->3-Benzyloxy-4-hydroxy-5-nitro-benzaldehyde-->TYRPHOSTIN AG 1288
Hazard InformationBack Directory
[Chemical Properties]

Dark Yellow Solid
[Uses]

Entacapone (E558500) impurity.
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

3,4-Dihydroxy-5-nitrobenzaldehyde,>98.0%(GC)(116313-85-0)
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