(2-chlorophenyl)hydrazine hydrochloride

• ChemBase ID: 34686
• Molecular Formular: C6H8Cl2N2
• Molecular Mass: 179.04712
• Monoisotopic Mass: 178.00645363
• SMILES: c1(c(Cl)cccc1)NN.Cl
• Canonical SMILES: NNc1ccccc1Cl.Cl
• InChI: InChI=1S/C6H7ClN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1H
• InChIKey: ADODRSVGNHNKAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2-chlorophenyl)hydrazine hydrochloride
• Synonyms: 2-Chlorophenylhydrazine hydrochloride; (2-Chlorophenyl)hydrazine hydrochloride; 2-Chlorophenylhydrazine hydrochloride; 2-Chlorophenylhydrazine hydrochloride 97%; 1-Chloro-2-hydrazinobenzene hydrochloride; 2-氯苯肼 盐酸盐; 2-氯苯基肼 盐酸盐

Database IDs

• CAS Number: 41052-75-9
• EC Number: 255-194-1
• MDL Number: MFCD00012928
• Beilstein Number: 3699381
• PubChem SID: 24855716; 24846921; 160997993
• PubChem CID: 443287

CALCULATED PROPERTIES

• Acid pKa: 18.326193
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8299513
• LogD (pH = 7.4): 1.9668754
• Log P: 1.9689331
• Molar Refractivity: 40.5695 cm^3
• Polarizability: 14.761311 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C; 200-202(dec.)°C; 200-203 °C (dec.)(lit.); ca 201°C dec.
• Hydrophobicity(logP): 2.28

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• European Hazard Symbols: Nature polluting (N); X; Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 20/21/22-50; 22-36/37/38
• Safety Statements: 26-36/37; 36/37-61
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H302-H312-H332-H400
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P273-P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: ≥97.0% (AT); 95%; 95+%; 97%
• Grade: purum
• Salt Data: HCl
• Linear Formula: ClC6H4NHNH2·HCl

DETAILS

Sigma Aldrich - 109509

Packaging
25 g in poly bottle