7-chloro-4-hydrazinylquinoline

• ChemBase ID: 78820
• Molecular Formular: C9H8ClN3
• Molecular Mass: 193.63292
• Monoisotopic Mass: 193.04067495
• SMILES: n1ccc(c2c1cc(cc2)Cl)NN
• Canonical SMILES: NNc1ccnc2c1ccc(c2)Cl
• InChI: InChI=1S/C9H8ClN3/c10-6-1-2-7-8(13-11)3-4-12-9(7)5-6/h1-5H,11H2,(H,12,13)
• InChIKey: TWJRTPKEHPDDPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-4-hydrazinylquinoline
• IUPAC Traditional name: 7-chloro-4-hydrazinylquinoline
• Synonyms: 1-(7-chloro-4-quinolyl)hydrazine; 7-Chloro-4-hydrazinoquinoline; 7-chloro-4-hydrazinylquinoline; 7-氯-4-肼基喹啉

Database IDs

• CAS Number: 23834-14-2
• MDL Number: MFCD00006776
• PubChem SID: 24849779; 162043583
• PubChem CID: 32109

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7491024
• LogD (pH = 7.4): 2.1188374
• Log P: 2.1265879
• Molar Refractivity: 54.4908 cm^3
• Polarizability: 21.366684 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219-225 °C (dec.)(lit.)

Safety Information

• RTECS: VB2900000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C9H8ClN3

DETAILS

Sigma Aldrich - 158852

Packaging
10 g in glass bottle