bis[(3-chlorophenyl)methylidene]hydrazine

• ChemBase ID: 154363
• Molecular Formular: C14H10Cl2N2
• Molecular Mass: 277.1486
• Monoisotopic Mass: 276.02210369
• SMILES: c1cc(cc(c1)/C=N/N=C/c1cc(ccc1)Cl)Cl
• Canonical SMILES: Clc1cccc(c1)/C=N/N=C/c1cccc(c1)Cl
• InChI: InChI=1S/C14H10Cl2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H
• InChIKey: XMOVWXSCYLINBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[(3-chlorophenyl)methylidene]hydrazine
• IUPAC Traditional name: bis[(3-chlorophenyl)methylidene]hydrazine
• Synonyms: 3,3′-Dichlorobenzaldazine; NSC 67224; DCB

Database IDs

• CAS Number: 6971-97-7
• MDL Number: MFCD00556081
• PubChem SID: 24724458; 162248502
• PubChem CID: 6861557

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.648348
• LogD (pH = 7.4): 4.648348
• Log P: 4.648348
• Molar Refractivity: 77.4078 cm^3
• Polarizability: 28.760866 Å^3
• Polar Surface Area: 24.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO: ~6.8 mg/mL; H2O: insoluble
• Apperance: yellow solid

Safety Information

• Storage Condition: desiccated; under inert gas
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-37/38-41-43-50/53
• Safety Statements: 26-36/37-60-61
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H317-H318-H335-H410
• GHS Precautionary statements: P261-P273-P280-P305 + P351 + P338-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 3077 9/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C14H10Cl2N2

DETAILS

Sigma Aldrich - D1068

Biochem/physiol Actions
Neutral allosteric modulator of the metabotropic glutamate receptor mGluR5.