furan-2-carbohydrazide

• ChemBase ID: 79157
• Molecular Formular: C5H6N2O2
• Molecular Mass: 126.11334
• Monoisotopic Mass: 126.04292744
• SMILES: o1c(ccc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1ccco1
• InChI: InChI=1S/C5H6N2O2/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)
• InChIKey: SKTSVWWOAIAIKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-2-carbohydrazide
• IUPAC Traditional name: 2-furoic acid hydrazide
• Synonyms: furan-2-carbohydrazide; 2-Furoic acid hydrazide; 2-Furoylhydrazine; 2-Furoic hydrazide; 2-Furoic acid hydrazide; 2-糠酸肼; 糠酰肼; 2-呋喃甲酰肼; 2-糠酸 肼

Database IDs

• CAS Number: 3326-71-4
• EC Number: 222-046-2
• MDL Number: MFCD00003235
• Beilstein Number: 114435
• PubChem SID: 162043920; 24847963
• PubChem CID: 18731

CALCULATED PROPERTIES

• Acid pKa: 12.048526
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.41283524
• LogD (pH = 7.4): -0.41235778
• Log P: -0.41234294
• Molar Refractivity: 32.0114 cm^3
• Polarizability: 11.54182 Å^3
• Polar Surface Area: 68.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77-79 °C(lit.); 77-81°C

Safety Information

• RTECS: LV1925000
• European Hazard Symbols: X
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C5H6N2O2

DETAILS

Sigma Aldrich - 130443

Packaging
5 g in glass bottle