(3-chlorophenyl)hydrazine hydrochloride

• ChemBase ID: 69746
• Molecular Formular: C6H8Cl2N2
• Molecular Mass: 179.04712
• Monoisotopic Mass: 178.00645363
• SMILES: Cl.N(N)c1cc(ccc1)Cl
• Canonical SMILES: NNc1cccc(c1)Cl.Cl
• InChI: InChI=1S/C6H7ClN2.ClH/c7-5-2-1-3-6(4-5)9-8;/h1-4,9H,8H2;1H
• InChIKey: CRRIAWUJYMLJOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chlorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (3-chlorophenyl)hydrazine hydrochloride
• Synonyms: 3-Chlorophenylhydrazine hydrochloride; 3-Chloro-1-hydrazinobenzene hydrochloride; 3-Chlorophenylhydrazine hydrochloride 97%; 3-Chlorophenyl hydrazine hydrochloride; 3-Chlorophenylhydrazine hydrochloride; 3-氯苯肼 盐酸盐; 3-氯苯肼 盐酸

Database IDs

• CAS Number: 2312-23-4
• EC Number: 219-005-6
• MDL Number: MFCD00012935
• Beilstein Number: 3565828
• PubChem SID: 24855429; 162035471
• PubChem CID: 75331

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7860496
• LogD (pH = 7.4): 1.9660784
• Log P: 1.9689331
• Molar Refractivity: 40.5695 cm^3
• Polarizability: 14.755913 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 240-245 °C (dec.)(lit.); 242°C; ca 242°C dec.

Safety Information

• Storage Warning: IRRITANT; Toxic/Store under Argon/Keep Cold
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 22-43
• Safety Statements: 26-36/37; 36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335; H302-H334
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P342 + P311
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

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

DETAILS

Sigma Aldrich - 25970

Packaging
25, 100 g in glass bottle