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

CAS NO.：116313-85-0

Empirical Formula: C7H5NO5

Molecular Weight: 183.12

MDL number: MFCD00871897

EINECS: 441-810-8

PRODUCT Properties

• 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)

Description and Uses

Entacapone (E558500) impurity.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319
• Precautionary statements: P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
• 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.