(4-iodophenyl)hydrazine

• ChemBase ID: 10411
• Molecular Formular: C6H7IN2
• Molecular Mass: 234.03765
• Monoisotopic Mass: 233.96539623
• SMILES: c1c(ccc(c1)NN)I
• Canonical SMILES: NNc1ccc(cc1)I
• InChI: InChI=1S/C6H7IN2/c7-5-1-3-6(9-8)4-2-5/h1-4,9H,8H2
• InChIKey: IQMLCMKMSBMMGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-iodophenyl)hydrazine
• IUPAC Traditional name: (4-iodophenyl)hydrazine
• Synonyms: 1-Hydrazino-4-iodobenzene; 4-Iodophenylhydrazine; 1-(4-iodophenyl)hydrazine; 4-Iodophenylhydrazine; (4-Iodophenyl)hydrazine; 4-碘苯肼; 4-碘苯基肼

Database IDs

• CAS Number: 13116-27-3
• MDL Number: MFCD00052688
• Beilstein Number: 742475
• PubChem SID: 24882942; 160973718
• PubChem CID: 704591

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0833714
• LogD (pH = 7.4): 2.2904356
• Log P: 2.293833
• Molar Refractivity: 49.1272 cm^3
• Polarizability: 18.049622 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 101-106°C; 102-105°C; 102-106 °C(lit.); 99-103°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon/Keep Cold; Light Sensitive; LIGHT SENSITIVE, KEEP COLD, TOXIC
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 22-36/37/38-43
• Safety Statements: 26; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H302-H315-H317-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 95%; 96%; 97%
• Empirical Formula (Hill Notation): C6H7IN2

DETAILS

Sigma Aldrich - 638463

Packaging
1, 5 g in glass bottle