(3-chloro-2-methylphenyl)hydrazine hydrochloride

• ChemBase ID: 15545
• Molecular Formular: C7H10Cl2N2
• Molecular Mass: 193.0737
• Monoisotopic Mass: 192.02210369
• SMILES: c1(c(c(ccc1)NN)C)Cl.Cl
• Canonical SMILES: NNc1cccc(c1C)Cl.Cl
• InChI: InChI=1S/C7H9ClN2.ClH/c1-5-6(8)3-2-4-7(5)10-9;/h2-4,10H,9H2,1H3;1H
• InChIKey: NFVOTDWJCRXNTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chloro-2-methylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (3-chloro-2-methylphenyl)hydrazine hydrochloride
• Synonyms: (3-Chloro-2-methylphenyl)hydrazine hydrochloride; (3-Chloro-2-methylphenyl)hydrazine hydrochloride; 2-Chloro-6-hydrazinotoluene hydrochloride; 3-Chloro-2-methylphenylhydrazine hydrochloride

Database IDs

• CAS Number: 39943-64-1
• MDL Number: MFCD04038836
• PubChem SID: 160978852
• PubChem CID: 12732296

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2915308
• LogD (pH = 7.4): 2.479347
• Log P: 2.4823544
• Molar Refractivity: 45.6107 cm^3
• Polarizability: 16.517887 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 255 - 257°C
• Hydrophobicity(logP): 2.779

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C7H10Cl2N2

DETAILS

Sigma Aldrich - CBR00783

Other Notes
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Legal Information
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