4-chlorobenzene-1-carboximidamide hydroiodide

• ChemBase ID: 7938
• Molecular Formular: C7H8ClIN2
• Molecular Mass: 282.50929
• Monoisotopic Mass: 281.94207395
• SMILES: c1c(ccc(c1)C(=N)N)Cl.I
• Canonical SMILES: NC(=N)c1ccc(cc1)Cl.I
• InChI: InChI=1S/C7H7ClN2.HI/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H
• InChIKey: YMEVGWRZEYGNJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chlorobenzene-1-carboximidamide hydroiodide
• IUPAC Traditional name: chlorophenamidine hydroiodide
• Synonyms: 4-Chlorobenzamidine hydriodide; 4-Chlorobenzamidine hydroiodide; 4-氯苄脒氢碘酸盐

Database IDs

• CAS Number: 115297-57-9
• MDL Number: MFCD00051987
• Beilstein Number: 8280383
• PubChem SID: 160971245
• PubChem CID: 2734221

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.917544
• LogD (pH = 7.4): -0.9054954
• Log P: 1.497759
• Molar Refractivity: 52.5353 cm^3
• Polarizability: 15.886346 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 237-240°C; ca 235°C dec.

Safety Information

• Storage Warning: Light Sensitive; MOISTURE SENSITIVE
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 96%