benzylhydrazine dihydrochloride

• ChemBase ID: 15548
• Molecular Formular: C7H12Cl2N2
• Molecular Mass: 195.08958
• Monoisotopic Mass: 194.03775375
• SMILES: c1cc(ccc1)CNN.Cl.Cl
• Canonical SMILES: NNCc1ccccc1.Cl.Cl
• InChI: InChI=1S/C7H10N2.2ClH/c8-9-6-7-4-2-1-3-5-7;;/h1-5,9H,6,8H2;2*1H
• InChIKey: MSJHOJKVMMEMNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzylhydrazine dihydrochloride
• IUPAC Traditional name: benzylhydrazine dihydrochloride
• Synonyms: Benzylhydrazine dihydrochloride; Benzylhydrazine dihydrochloride; BENZYL HYDRAZINE DIHYDROCHLORIDE; Benzylhydrazine.2HCl; 苄基肼 二盐酸盐

Database IDs

• CAS Number: 20570-96-1
• EC Number: 243-887-1
• MDL Number: MFCD00012921
• Beilstein Number: 3688990
• PubChem SID: 24891643; 160978855
• PubChem CID: 146540

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: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 143-145 °C (dec.)(lit.); 143-145°C

Safety Information

• Storage Warning: IRRITANT
• RTECS: MU8540000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 36/37/38; R:22
• Safety Statements: 26-36; S:36/37/39
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥98.0% (CHN); 97%
• Grade: purum
• Linear Formula: C6H5CH2NHNH2 · 2HCl

DETAILS

Sigma Aldrich - B22852

Packaging
25, 100 g in poly bottle
5 g in glass bottle