benzylhydrazine; oxalic acid

• ChemBase ID: 109489
• Molecular Formular: C9H12N2O4
• Molecular Mass: 212.20258
• Monoisotopic Mass: 212.07970687
• SMILES: NNCc1ccccc1.OC(=O)C(=O)O
• Canonical SMILES: OC(=O)C(=O)O.NNCc1ccccc1
• InChI: InChI=1S/C7H10N2.C2H2O4/c8-9-6-7-4-2-1-3-5-7;3-1(4)2(5)6/h1-5,9H,6,8H2;(H,3,4)(H,5,6)
• InChIKey: RCHUSXHCJLZTEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzylhydrazine; oxalic acid
• IUPAC Traditional name: benzylhydrazine; oxalic acid
• Synonyms: BENZYLHYDRAZINE OXALATE; Benzylhydrazine oxalate salt; 苄基肼 草酸盐

Database IDs

• CAS Number: 32064-65-6
• EC Number: 250-908-8
• MDL Number: MFCD00043293
• Beilstein Number: 3759765
• PubChem SID: 162095324; 24848158
• PubChem CID: 13000183

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.7029166
• LogD (pH = 7.4): 0.9109416
• Log P: 0.91435885
• Molar Refractivity: 49.5083 cm^3
• Polarizability: 15.05166 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183-188 °C (dec.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 21/22
• Safety Statements: 36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥96.0%
• Linear Formula: C6H5CH2NHNH2 · (COOH)2

DETAILS

MP Biomedicals - 05211262

MP Biomedicals Rare Chemical collection