bis(propan-2-ylidene)hydrazine

• ChemBase ID: 147190
• Molecular Formular: C6H12N2
• Molecular Mass: 112.17288
• Monoisotopic Mass: 112.10004839
• SMILES: CC(=NN=C(C)C)C
• Canonical SMILES: CC(=NN=C(C)C)C
• InChI: InChI=1S/C6H12N2/c1-5(2)7-8-6(3)4/h1-4H3
• InChIKey: PFLUPZGCTVGDLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(propan-2-ylidene)hydrazine
• IUPAC Traditional name: bis(propan-2-ylidene)hydrazine
• Synonyms: Acetone azine; 二丙酮腙

Database IDs

• CAS Number: 627-70-3
• MDL Number: MFCD00015645
• PubChem SID: 162241381; 24856533
• PubChem CID: 79085

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.28132147
• LogD (pH = 7.4): 0.28132161
• Log P: 0.28132161
• Molar Refractivity: 34.9038 cm^3
• Polarizability: 13.237225 Å^3
• Polar Surface Area: 24.72 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -125 °C(lit.)
• Boiling Point: 133 °C/763 mmHg(lit.)
• Flash Point: 31 °C; 87.8 °F
• Density: 0.842 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.454(lit.)

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 1992
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 45-10-21/22-36/37/38
• Safety Statements: 53-26-36/37-45
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H311-H315-H319-H335-H350
• GHS Precautionary statements: P201-P261-P280-P305 + P351 + P338-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1992 3/PG 3

Product Information

• Purity: 98%
• Linear Formula: (CH3)2C=NN=C(CH3)2

DETAILS

Sigma Aldrich - 273155

Packaging
25 g in glass bottle